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 155.3
[M+Na]+ 263.11549 161.8
[M-H]- 239.11899 161.7
[M+NH4]+ 258.16009 172.0
[M+K]+ 279.08943 157.7
[M+H-H2O]+ 223.12353 147.6
[M+HCOO]- 285.12447 180.3
[M+CH3COO]- 299.14012 198.0
[M+Na-2H]- 261.10094 159.9
[M]+ 240.12572 153.2
[M]- 240.12682 153.2
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.