CID 44726053

303108-05-6

Structural Information

Molecular Formula
C12H14N4OS
SMILES
CC(C)C1=CC(=NN1)C(=O)N/N=C/C2=CC=CS2
InChI
InChI=1S/C12H14N4OS/c1-8(2)10-6-11(15-14-10)12(17)16-13-7-9-4-3-5-18-9/h3-8H,1-2H3,(H,14,15)(H,16,17)/b13-7+
InChIKey
MCUCQTVFUNFFKB-NTUHNPAUSA-N
Compound name
5-propan-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.08884 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09612 159.7
[M+Na]+ 285.07806 167.8
[M-H]- 261.08156 165.2
[M+NH4]+ 280.12266 177.4
[M+K]+ 301.05200 164.3
[M+H-H2O]+ 245.08610 151.7
[M+HCOO]- 307.08704 180.7
[M+CH3COO]- 321.10269 196.7
[M+Na-2H]- 283.06351 159.8
[M]+ 262.08829 162.3
[M]- 262.08939 162.3
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.