CID 20117274

3-(aminomethyl)-n-[(4-methylphenyl)methyl]benzamide

Structural Information

Molecular Formula
C16H18N2O
SMILES
CC1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)CN
InChI
InChI=1S/C16H18N2O/c1-12-5-7-13(8-6-12)11-18-16(19)15-4-2-3-14(9-15)10-17/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKey
VDIHJQDFPYZJBG-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-N-[(4-methylphenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1419 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 159.9
[M+Na]+ 277.13112 165.9
[M-H]- 253.13462 166.1
[M+NH4]+ 272.17572 176.0
[M+K]+ 293.10506 161.5
[M+H-H2O]+ 237.13916 151.9
[M+HCOO]- 299.14010 184.5
[M+CH3COO]- 313.15575 201.0
[M+Na-2H]- 275.11657 163.9
[M]+ 254.14135 158.1
[M]- 254.14245 158.1
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.