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]+ 257.139696 159.6
[M+Na]+ 279.121638 165.4
[M-H]- 255.125144 163.8
[M+NH4]+ 274.166243 174.7
[M+K]+ 295.095578 161.7
[M+H-H2O]+ 239.129680 150.3
[M+HCOO]- 301.130621 182.9
[M+CH3COO]- 315.146271 199.0
[M+Na-2H]- 277.107086 163.1
[M]+ 256.13187142 158.1
[M]- 256.13296858 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.