CID 3025311

1-(2-bromoethyl)-3-(4-methoxy-1-naphthalenemethyl)urea

Structural Information

Molecular Formula
C15H17BrN2O2
SMILES
COC1=CC=C(C2=CC=CC=C21)CNC(=O)NCCBr
InChI
InChI=1S/C15H17BrN2O2/c1-20-14-7-6-11(10-18-15(19)17-9-8-16)12-4-2-3-5-13(12)14/h2-7H,8-10H2,1H3,(H2,17,18,19)
InChIKey
XUDZEEYTDRLXRO-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-[(4-methoxynaphthalen-1-yl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.04733 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.05461 169.1
[M+Na]+ 359.03655 177.8
[M-H]- 335.04005 175.4
[M+NH4]+ 354.08115 186.9
[M+K]+ 375.01049 165.9
[M+H-H2O]+ 319.04459 166.8
[M+HCOO]- 381.04553 190.3
[M+CH3COO]- 395.06118 210.3
[M+Na-2H]- 357.02200 175.9
[M]+ 336.04678 188.7
[M]- 336.04788 188.7
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.