CID 16776295

1-[3-(aminomethyl)phenyl]-3-(3-methylphenyl)urea

Structural Information

Molecular Formula
C15H17N3O
SMILES
CC1=CC(=CC=C1)NC(=O)NC2=CC=CC(=C2)CN
InChI
InChI=1S/C15H17N3O/c1-11-4-2-6-13(8-11)17-15(19)18-14-7-3-5-12(9-14)10-16/h2-9H,10,16H2,1H3,(H2,17,18,19)
InChIKey
JMGHBGDVNXGGGH-UHFFFAOYSA-N
Compound name
1-[3-(aminomethyl)phenyl]-3-(3-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13716 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14444 160.9
[M+Na]+ 278.12638 172.5
[M+NH4]+ 273.17098 168.7
[M+K]+ 294.10032 165.5
[M-H]- 254.12988 166.6
[M+Na-2H]- 276.11183 169.4
[M]+ 255.13661 163.9
[M]- 255.13771 163.9
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.