CID 6914368

Tazobactam intermediate

Structural Information

Molecular Formula
C10H14N4O5S
SMILES
C[C@](CN1C=CN=N1)([C@H](C(=O)O)N/C=C\C=O)S(=O)O
InChI
InChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11H,7H2,1H3,(H,16,17)(H,18,19)/b3-2-/t8-,10-/m0/s1
InChIKey
YGFMROFTTCPCKY-AARLMMRRSA-N
Compound name
(2S,3S)-3-methyl-2-[[(Z)-3-oxoprop-1-enyl]amino]-3-sulfino-4-(triazol-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

302.06848 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07576 166.7
[M+Na]+ 325.05770 171.8
[M-H]- 301.06120 163.7
[M+NH4]+ 320.10230 177.5
[M+K]+ 341.03164 169.2
[M+H-H2O]+ 285.06574 159.3
[M+HCOO]- 347.06668 177.8
[M+CH3COO]- 361.08233 195.7
[M+Na-2H]- 323.04315 166.8
[M]+ 302.06793 168.5
[M]- 302.06903 168.5
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

No patent data available for this compound.