CID 703625

3-(4-aminophenyl)-1-(4-chlorophenyl)urea

Structural Information

Molecular Formula
C13H12ClN3O
SMILES
C1=CC(=CC=C1N)NC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H12ClN3O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,15H2,(H2,16,17,18)
InChIKey
FSPSGXONYSJIKK-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-3-(4-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

261.0669 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.07418 157.6
[M+Na]+ 284.05612 164.9
[M-H]- 260.05962 164.1
[M+NH4]+ 279.10072 174.0
[M+K]+ 300.03006 159.5
[M+H-H2O]+ 244.06416 150.7
[M+HCOO]- 306.06510 179.7
[M+CH3COO]- 320.08075 200.2
[M+Na-2H]- 282.04157 163.1
[M]+ 261.06635 156.4
[M]- 261.06745 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe