CID 5399812

303106-37-8

Structural Information

Molecular Formula
C13H16N4OS
SMILES
CC(C)C1=CC(=NN1)C(=O)N/N=C(\C)/C2=CC=CS2
InChI
InChI=1S/C13H16N4OS/c1-8(2)10-7-11(16-15-10)13(18)17-14-9(3)12-5-4-6-19-12/h4-8H,1-3H3,(H,15,16)(H,17,18)/b14-9+
InChIKey
BWBUORCJHAHWOT-NTEUORMPSA-N
Compound name
5-propan-2-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1045 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11178 164.8
[M+Na]+ 299.09372 172.1
[M-H]- 275.09722 170.3
[M+NH4]+ 294.13832 181.8
[M+K]+ 315.06766 168.9
[M+H-H2O]+ 259.10176 156.7
[M+HCOO]- 321.10270 184.5
[M+CH3COO]- 335.11835 200.5
[M+Na-2H]- 297.07917 163.4
[M]+ 276.10395 167.2
[M]- 276.10505 167.2
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.