CID 9600418

(2r,4s)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C14H19N5O5S2
SMILES
CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)/C(=N\OC)/C2=CSC(=N2)N)C(=O)O)C
InChI
InChI=1S/C14H19N5O5S2/c1-14(2)9(12(22)23)18-11(26-14)6(4-20)16-10(21)8(19-24-3)7-5-25-13(15)17-7/h4-6,9,11,18H,1-3H3,(H2,15,17)(H,16,21)(H,22,23)/b19-8-/t6-,9+,11-/m1/s1
InChIKey
YVNKGXXVZIQNIV-RKMXGKDGSA-N
Compound name
(2R,4S)-2-[(1R)-1-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.08276 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.09004 186.0
[M+Na]+ 424.07198 189.4
[M-H]- 400.07548 187.8
[M+NH4]+ 419.11658 198.0
[M+K]+ 440.04592 186.6
[M+H-H2O]+ 384.08002 180.5
[M+HCOO]- 446.08096 194.1
[M+CH3COO]- 460.09661 221.3
[M+Na-2H]- 422.05743 182.4
[M]+ 401.08221 186.9
[M]- 401.08331 186.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.