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]+ 256.144436 158.9
[M+Na]+ 278.126378 164.5
[M-H]- 254.129884 165.2
[M+NH4]+ 273.170983 174.6
[M+K]+ 294.100318 160.5
[M+H-H2O]+ 238.134420 150.7
[M+HCOO]- 300.135361 184.8
[M+CH3COO]- 314.151011 202.6
[M+Na-2H]- 276.111826 163.9
[M]+ 255.13661142 156.0
[M]- 255.13770858 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.