CID 2851605

N,n'-bis((2-chlorophenyl)phenylmethyl)urea

Structural Information

Molecular Formula
C27H22Cl2N2O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2Cl)NC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4Cl
InChI
InChI=1S/C27H22Cl2N2O/c28-23-17-9-7-15-21(23)25(19-11-3-1-4-12-19)30-27(32)31-26(20-13-5-2-6-14-20)22-16-8-10-18-24(22)29/h1-18,25-26H,(H2,30,31,32)
InChIKey
RCYJLGRUFPHWRV-UHFFFAOYSA-N
Compound name
1,3-bis[(2-chlorophenyl)-phenylmethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.11093 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.11821 209.1
[M+Na]+ 483.10015 213.3
[M-H]- 459.10365 219.4
[M+NH4]+ 478.14475 217.0
[M+K]+ 499.07409 204.7
[M+H-H2O]+ 443.10819 198.9
[M+HCOO]- 505.10913 221.3
[M+CH3COO]- 519.12478 216.3
[M+Na-2H]- 481.08560 210.0
[M]+ 460.11038 210.2
[M]- 460.11148 210.2
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.