CID 6867349

303108-11-4

Structural Information

Molecular Formula
C14H16N4O
SMILES
CC(C)C1=CC(=NN1)C(=O)N/N=C/C2=CC=CC=C2
InChI
InChI=1S/C14H16N4O/c1-10(2)12-8-13(17-16-12)14(19)18-15-9-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,17)(H,18,19)/b15-9+
InChIKey
AUDZHKYEKFXTJF-OQLLNIDSSA-N
Compound name
N-[(E)-benzylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

256.13242 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13970 159.6
[M+Na]+ 279.12164 165.4
[M-H]- 255.12514 163.8
[M+NH4]+ 274.16624 174.7
[M+K]+ 295.09558 161.7
[M+H-H2O]+ 239.12968 150.3
[M+HCOO]- 301.13062 182.9
[M+CH3COO]- 315.14627 199.0
[M+Na-2H]- 277.10709 163.1
[M]+ 256.13187 158.1
[M]- 256.13297 158.1
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

No patent data available for this compound.