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
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 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.