CID 3074698

N,n'-bis((4-bromophenyl)phenylmethyl)urea

Structural Information

Molecular Formula
C27H22Br2N2O
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)NC(=O)NC(C3=CC=CC=C3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C27H22Br2N2O/c28-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)30-27(32)31-26(20-9-5-2-6-10-20)22-13-17-24(29)18-14-22/h1-18,25-26H,(H2,30,31,32)
InChIKey
XWTLBXITVSYJRQ-UHFFFAOYSA-N
Compound name
1,3-bis[(4-bromophenyl)-phenylmethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.0099 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.01718 196.6
[M+Na]+ 570.99912 192.9
[M+NH4]+ 566.04372 198.2
[M+K]+ 586.97306 196.7
[M-H]- 547.00262 201.6
[M+Na-2H]- 568.98457 200.8
[M]+ 548.00935 196.6
[M]- 548.01045 196.6
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.