CID 16773655

N-[3-(aminomethyl)phenyl]-4-methylbenzamide

Structural Information

Molecular Formula
C15H16N2O
SMILES
CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)CN
InChI
InChI=1S/C15H16N2O/c1-11-5-7-13(8-6-11)15(18)17-14-4-2-3-12(9-14)10-16/h2-9H,10,16H2,1H3,(H,17,18)
InChIKey
YKZCQDGPRHPUFN-UHFFFAOYSA-N
Compound name
N-[3-(aminomethyl)phenyl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.12627 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 156.6
[M+Na]+ 263.11549 169.5
[M+NH4]+ 258.16009 165.0
[M+K]+ 279.08943 162.1
[M-H]- 239.11899 162.2
[M+Na-2H]- 261.10094 165.5
[M]+ 240.12572 159.9
[M]- 240.12682 159.9
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.