CID 680935

N-phenyl-1h-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C10H9N3O
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC=NN2
InChI
InChI=1S/C10H9N3O/c14-10(9-6-7-11-13-9)12-8-4-2-1-3-5-8/h1-7H,(H,11,13)(H,12,14)
InChIKey
WMZYZYFPPQOFKY-UHFFFAOYSA-N
Compound name
N-phenyl-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

341
Patents

187.07455 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08183 138.3
[M+Na]+ 210.06377 145.3
[M-H]- 186.06727 141.2
[M+NH4]+ 205.10837 155.6
[M+K]+ 226.03771 141.8
[M+H-H2O]+ 170.07181 130.1
[M+HCOO]- 232.07275 161.2
[M+CH3COO]- 246.08840 178.9
[M+Na-2H]- 208.04922 144.9
[M]+ 187.07400 135.3
[M]- 187.07510 135.3
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

patents stripe