CID 16795125

3-[4-(1-aminoethyl)phenyl]-1-phenylurea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13716 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14444 159.1
[M+Na]+ 278.12638 163.5
[M-H]- 254.12988 165.2
[M+NH4]+ 273.17098 174.5
[M+K]+ 294.10032 160.0
[M+H-H2O]+ 238.13442 150.8
[M+HCOO]- 300.13536 184.1
[M+CH3COO]- 314.15101 202.3
[M+Na-2H]- 276.11183 163.7
[M]+ 255.13661 155.2
[M]- 255.13771 155.2
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.