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]+ 263.096116 159.7
[M+Na]+ 285.078058 167.8
[M-H]- 261.081564 165.2
[M+NH4]+ 280.122663 177.4
[M+K]+ 301.051998 164.3
[M+H-H2O]+ 245.086100 151.7
[M+HCOO]- 307.087041 180.7
[M+CH3COO]- 321.102691 196.7
[M+Na-2H]- 283.063506 159.8
[M]+ 262.08829142 162.3
[M]- 262.08938858 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.