CID 13914368

88023-65-8

Structural Information

Molecular Formula
C10H10N4O7S2
SMILES
C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)NC(=O)C(=O)C2=CSC(=N2)NC=O
InChI
InChI=1S/C10H10N4O7S2/c1-4-6(9(18)14(4)23(19,20)21)13-8(17)7(16)5-2-22-10(12-5)11-3-15/h2-4,6H,1H3,(H,13,17)(H,11,12,15)(H,19,20,21)/t4-,6-/m0/s1
InChIKey
WPCVTANLBSKUEQ-NJGYIYPDSA-N
Compound name
(2S,3S)-3-[[2-(2-formamido-1,3-thiazol-4-yl)-2-oxoacetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

361.99908 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.00636 175.8
[M+Na]+ 384.98830 177.6
[M-H]- 360.99180 177.1
[M+NH4]+ 380.03290 178.6
[M+K]+ 400.96224 177.8
[M+H-H2O]+ 344.99634 161.2
[M+HCOO]- 406.99728 183.3
[M+CH3COO]- 421.01293 213.1
[M+Na-2H]- 382.97375 173.5
[M]+ 361.99853 186.6
[M]- 361.99963 186.6
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