CID 16787360

N-[3-(aminomethyl)phenyl]-2-(1h-pyrazol-1-yl)acetamide dihydrochloride

Structural Information

Molecular Formula
C12H14N4O
SMILES
C1=CC(=CC(=C1)NC(=O)CN2C=CC=N2)CN
InChI
InChI=1S/C12H14N4O/c13-8-10-3-1-4-11(7-10)15-12(17)9-16-6-2-5-14-16/h1-7H,8-9,13H2,(H,15,17)
InChIKey
RILLXSVMTBTXTF-UHFFFAOYSA-N
Compound name
N-[3-(aminomethyl)phenyl]-2-pyrazol-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.11676 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.124036 150.6
[M+Na]+ 253.105978 157.2
[M-H]- 229.109484 154.4
[M+NH4]+ 248.150583 166.5
[M+K]+ 269.079918 153.7
[M+H-H2O]+ 213.114020 141.5
[M+HCOO]- 275.114961 174.8
[M+CH3COO]- 289.130611 193.0
[M+Na-2H]- 251.091426 155.4
[M]+ 230.11621142 148.8
[M]- 230.11730858 148.8
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.