CID 6048991

65872-43-7

Structural Information

Molecular Formula
C7H7N3O4S
SMILES
CO/N=C(/C1=CSC(=N1)NC=O)\C(=O)O
InChI
InChI=1S/C7H7N3O4S/c1-14-10-5(6(12)13)4-2-15-7(9-4)8-3-11/h2-3H,1H3,(H,12,13)(H,8,9,11)/b10-5-
InChIKey
NRRJNSWNWIDHOX-YHYXMXQVSA-N
Compound name
(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

229.01573 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02301 146.1
[M+Na]+ 252.00495 153.3
[M-H]- 228.00845 148.9
[M+NH4]+ 247.04955 164.1
[M+K]+ 267.97889 152.1
[M+H-H2O]+ 212.01299 139.0
[M+HCOO]- 274.01393 166.7
[M+CH3COO]- 288.02958 189.5
[M+Na-2H]- 249.99040 148.0
[M]+ 229.01518 149.7
[M]- 229.01628 149.7
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