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 160.3
[M+Na]+ 279.12164 170.4
[M+NH4]+ 274.16624 166.5
[M+K]+ 295.09558 166.5
[M-H]- 255.12514 162.8
[M+Na-2H]- 277.10709 167.0
[M]+ 256.13187 162.0
[M]- 256.13297 162.0
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.