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

41
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.