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

12009
Patents

376.01474 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.022016 181.3
[M+Na]+ 399.003958 192.1
[M-H]- 375.007464 185.4
[M+NH4]+ 394.048563 192.9
[M+K]+ 414.977898 188.8
[M+H-H2O]+ 359.012000 175.9
[M+HCOO]- 421.012941 193.2
[M+CH3COO]- 435.028591 209.9
[M+Na-2H]- 396.989406 179.5
[M]+ 376.01419142 190.5
[M]- 376.01528858 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

literature stripe

Patent stripe

patents stripe