PubChemLite - Cefteram (C16H17N9O5S2)

Structural Information

Molecular Formula

SMILES

CC1=NN(N=N1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O

InChI

InChI=1S/C16H17N9O5S2/c1-6-20-23-24(21-6)3-7-4-31-14-10(13(27)25(14)11(7)15(28)29)19-12(26)9(22-30-2)8-5-32-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b22-9-/t10-,14-/m1/s1

InChIKey

XSPUSVIQHBDITA-RKYNPMAHSA-N

Compound name

(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	480.08668	204.1
[M+Na]+	502.06862	207.5
[M-H]-	478.07212	207.1
[M+NH4]+	497.11322	201.4
[M+K]+	518.04256	207.1
[M+H-H2O]+	462.07666	189.3
[M+HCOO]-	524.07760	209.6
[M+CH3COO]-	538.09325	240.7
[M+Na-2H]-	500.05407	199.8
[M]+	479.07885	216.6
[M]-	479.07995	216.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.08668

204.1

[M+Na]+

502.06862

207.5

[M-H]-

478.07212

207.1

[M+NH4]+

497.11322

201.4

[M+K]+

518.04256

207.1

[M+H-H2O]+

462.07666

189.3

[M+HCOO]-

524.07760

209.6

[M+CH3COO]-

538.09325

240.7

[M+Na-2H]-

500.05407

199.8

[M]+

479.07885

216.6

[M]-

479.07995

216.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Cefteram

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe