CID 3074697

N,n'-bis((3-bromophenyl)phenylmethyl)urea

Structural Information

Molecular Formula
C27H22Br2N2O
SMILES
C1=CC=C(C=C1)C(C2=CC(=CC=C2)Br)NC(=O)NC(C3=CC=CC=C3)C4=CC(=CC=C4)Br
InChI
InChI=1S/C27H22Br2N2O/c28-23-15-7-13-21(17-23)25(19-9-3-1-4-10-19)30-27(32)31-26(20-11-5-2-6-12-20)22-14-8-16-24(29)18-22/h1-18,25-26H,(H2,30,31,32)
InChIKey
FRFGCJSRQWMGRY-UHFFFAOYSA-N
Compound name
1,3-bis[(3-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 208.9
[M+Na]+ 570.99912 212.1
[M-H]- 547.00262 220.2
[M+NH4]+ 566.04372 217.3
[M+K]+ 586.97306 196.7
[M+H-H2O]+ 531.00716 212.9
[M+HCOO]- 593.00810 222.1
[M+CH3COO]- 607.02375 216.6
[M+Na-2H]- 568.98457 210.3
[M]+ 548.00935 238.8
[M]- 548.01045 238.8
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.