CID 177355

Propoxycarbazone

Structural Information

Molecular Formula
C15H18N4O7S
SMILES
CCCOC1=NN(C(=O)N1C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C15H18N4O7S/c1-4-9-26-14-16-19(15(22)18(14)2)13(21)17-27(23,24)11-8-6-5-7-10(11)12(20)25-3/h5-8H,4,9H2,1-3H3,(H,17,21)
InChIKey
JTHMVYBOQLDDIY-UHFFFAOYSA-N
Compound name
methyl 2-[(4-methyl-5-oxo-3-propoxy-1,2,4-triazole-1-carbonyl)sulfamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

8
References

18894
Patents

398.08963 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.09691 189.1
[M+Na]+ 421.07885 197.2
[M+NH4]+ 416.12345 190.5
[M+K]+ 437.05279 195.9
[M-H]- 397.08235 186.6
[M+Na-2H]- 419.06430 191.1
[M]+ 398.08908 189.3
[M]- 398.09018 189.3
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