CID 16773423

3-[3-(aminomethyl)phenyl]-1-phenylurea hydrochloride

Structural Information

Molecular Formula
C14H15N3O
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)CN
InChI
InChI=1S/C14H15N3O/c15-10-11-5-4-8-13(9-11)17-14(18)16-12-6-2-1-3-7-12/h1-9H,10,15H2,(H2,16,17,18)
InChIKey
LRKMXKQTJKKMOQ-UHFFFAOYSA-N
Compound name
1-[3-(aminomethyl)phenyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

241.1215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12878 153.7
[M+Na]+ 264.11072 158.8
[M-H]- 240.11422 159.8
[M+NH4]+ 259.15532 169.7
[M+K]+ 280.08466 154.9
[M+H-H2O]+ 224.11876 145.5
[M+HCOO]- 286.11970 180.0
[M+CH3COO]- 300.13535 198.3
[M+Na-2H]- 262.09617 160.0
[M]+ 241.12095 150.0
[M]- 241.12205 150.0
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

patents stripe