CID 28567677

3-[(benzylamino)methyl]benzamide

Structural Information

Molecular Formula
C15H16N2O
SMILES
C1=CC=C(C=C1)CNCC2=CC(=CC=C2)C(=O)N
InChI
InChI=1S/C15H16N2O/c16-15(18)14-8-4-7-13(9-14)11-17-10-12-5-2-1-3-6-12/h1-9,17H,10-11H2,(H2,16,18)
InChIKey
WSQQGODLBAPEEV-UHFFFAOYSA-N
Compound name
3-[(benzylamino)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.12627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 154.8
[M+Na]+ 263.11549 160.1
[M-H]- 239.11899 160.7
[M+NH4]+ 258.16009 171.0
[M+K]+ 279.08943 156.0
[M+H-H2O]+ 223.12353 146.8
[M+HCOO]- 285.12447 179.7
[M+CH3COO]- 299.14012 197.5
[M+Na-2H]- 261.10094 160.1
[M]+ 240.12572 152.3
[M]- 240.12682 152.3
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.