CID 20056440

Thiencarbazone

Structural Information

Molecular Formula
C11H12N4O7S2
SMILES
CC1=C(C(=CS1)C(=O)O)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C
InChI
InChI=1S/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)17)24(20,21)13-9(18)15-11(19)14(2)10(12-15)22-3/h4H,1-3H3,(H,13,18)(H,16,17)
InChIKey
GLDAZAQRGCSFNP-UHFFFAOYSA-N
Compound name
4-[(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

11846
Patents

376.01474 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.02202 181.3
[M+Na]+ 399.00396 192.1
[M-H]- 375.00746 185.4
[M+NH4]+ 394.04856 192.9
[M+K]+ 414.97790 188.8
[M+H-H2O]+ 359.01200 175.9
[M+HCOO]- 421.01294 193.2
[M+CH3COO]- 435.02859 209.9
[M+Na-2H]- 396.98941 179.5
[M]+ 376.01419 190.5
[M]- 376.01529 190.5
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.