CID 6540466

Carumonam

Structural Information

Molecular Formula
C12H14N6O10S2
SMILES
C1=C(N=C(S1)N)/C(=N/OCC(=O)O)/C(=O)N[C@H]2[C@H](N(C2=O)S(=O)(=O)O)COC(=O)N
InChI
InChI=1S/C12H14N6O10S2/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26)/b17-7-/t5-,8+/m1/s1
InChIKey
UIMOJFJSJSIGLV-JNHMLNOCSA-N
Compound name
2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-(carbamoyloxymethyl)-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

103
References

6930
Patents

466.02127 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.02855 207.6
[M+Na]+ 489.01049 201.5
[M+NH4]+ 484.05509 201.4
[M+K]+ 504.98443 205.8
[M-H]- 465.01399 199.5
[M+Na-2H]- 486.99594 200.9
[M]+ 466.02072 202.6
[M]- 466.02182 202.6
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

patents stripe