CID 3025307

1-(2-bromoethyl)-3-diphenylmethylurea

Structural Information

Molecular Formula
C16H17BrN2O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)NCCBr
InChI
InChI=1S/C16H17BrN2O/c17-11-12-18-16(20)19-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,18,19,20)
InChIKey
ZIIBSXCDMUVOLI-UHFFFAOYSA-N
Compound name
1-benzhydryl-3-(2-bromoethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.05243 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05971 170.6
[M+Na]+ 355.04165 177.0
[M-H]- 331.04515 178.5
[M+NH4]+ 350.08625 186.7
[M+K]+ 371.01559 164.7
[M+H-H2O]+ 315.04969 167.8
[M+HCOO]- 377.05063 191.9
[M+CH3COO]- 391.06628 208.1
[M+Na-2H]- 353.02710 176.4
[M]+ 332.05188 186.7
[M]- 332.05298 186.7
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.