CID 3076200

Brn 4755522

Structural Information

Molecular Formula
C16H14N4O
SMILES
CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3=CC=CC=N3
InChI
InChI=1S/C16H14N4O/c1-11-5-7-12(8-6-11)13-10-14(20-19-13)16(21)18-15-4-2-3-9-17-15/h2-10H,1H3,(H,19,20)(H,17,18,21)
InChIKey
HUBZSOMBUHTEOV-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-N-pyridin-2-yl-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.11676 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12404 163.5
[M+Na]+ 301.10598 171.0
[M-H]- 277.10948 168.5
[M+NH4]+ 296.15058 175.7
[M+K]+ 317.07992 165.0
[M+H-H2O]+ 261.11402 153.2
[M+HCOO]- 323.11496 184.3
[M+CH3COO]- 337.13061 174.1
[M+Na-2H]- 299.09143 167.9
[M]+ 278.11621 161.3
[M]- 278.11731 161.3
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.