CID 118379834

Ancremonam

Structural Information

Molecular Formula
C16H18N6O10S2
SMILES
C1CC1(C(=O)O)O/N=C(/C2=CSC(=N2)N)\C(=O)N[C@H]3[C@H](N(C3=O)S(=O)(=O)O)CN4CCOC4=O
InChI
InChI=1S/C16H18N6O10S2/c17-14-18-7(6-33-14)9(20-32-16(1-2-16)13(25)26)11(23)19-10-8(5-21-3-4-31-15(21)27)22(12(10)24)34(28,29)30/h6,8,10H,1-5H2,(H2,17,18)(H,19,23)(H,25,26)(H,28,29,30)/b20-9-/t8-,10+/m1/s1
InChIKey
FWTGYTRQUBRVDW-NRABZWKMSA-N
Compound name
1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-[[(3S,4R)-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1-sulfoazetidin-3-yl]amino]ethylidene]amino]oxycyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

67
Patents

518.0526 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.05988 218.4
[M+Na]+ 541.04182 216.6
[M+NH4]+ 536.08642 215.9
[M+K]+ 557.01576 220.2
[M-H]- 517.04532 221.3
[M+Na-2H]- 539.02727 217.9
[M]+ 518.05205 218.8
[M]- 518.05315 218.8
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