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 158.9
[M+Na]+ 278.12638 164.5
[M-H]- 254.12988 165.2
[M+NH4]+ 273.17098 174.6
[M+K]+ 294.10032 160.5
[M+H-H2O]+ 238.13442 150.7
[M+HCOO]- 300.13536 184.8
[M+CH3COO]- 314.15101 202.6
[M+Na-2H]- 276.11183 163.9
[M]+ 255.13661 156.0
[M]- 255.13771 156.0
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.