CID 449088

N-(5-cyclopropyl-1h-pyrazol-3-yl)benzamide

Structural Information

Molecular Formula
C13H13N3O
SMILES
C1CC1C2=CC(=NN2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C13H13N3O/c17-13(10-4-2-1-3-5-10)14-12-8-11(15-16-12)9-6-7-9/h1-5,8-9H,6-7H2,(H2,14,15,16,17)
InChIKey
LUCORKWTQSQFFU-UHFFFAOYSA-N
Compound name
N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

46
Patents

227.10587 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11315 149.9
[M+Na]+ 250.09509 158.5
[M-H]- 226.09859 156.4
[M+NH4]+ 245.13969 161.0
[M+K]+ 266.06903 152.9
[M+H-H2O]+ 210.10313 141.5
[M+HCOO]- 272.10407 172.5
[M+CH3COO]- 286.11972 161.4
[M+Na-2H]- 248.08054 154.5
[M]+ 227.10532 149.4
[M]- 227.10642 149.4
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