CID 10300327

Cp-5609

Structural Information

Molecular Formula
C23H22N5O6S
SMILES
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1C3=CN4C=NC(=C4S3)C(=O)C5=C[N+](=CC=C5)CC(=O)N)C(=O)O)[C@@H](C)O
InChI
InChI=1S/C23H21N5O6S/c1-10-15(19(23(33)34)28-18(10)16(11(2)29)21(28)32)13-7-27-9-25-17(22(27)35-13)20(31)12-4-3-5-26(6-12)8-14(24)30/h3-7,9-11,16,18,29H,8H2,1-2H3,(H2-,24,30,33,34)/p+1/t10-,11+,16+,18+/m0/s1
InChIKey
LZKPUSJSJVEXAW-WDXSGGTDSA-O
Compound name
(4S,5R,6S)-3-[7-[1-(2-amino-2-oxoethyl)pyridin-1-ium-3-carbonyl]imidazo[5,1-b][1,3]thiazol-2-yl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

240
Patents

496.1291 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.13638 212.7
[M+Na]+ 519.11832 217.6
[M+NH4]+ 514.16292 212.1
[M+K]+ 535.09226 222.4
[M-H]- 495.12182 211.2
[M+Na-2H]- 517.10377 210.4
[M]+ 496.12855 211.9
[M]- 496.12965 211.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe