CID 3025315

Urea, 1-(2-bromoethyl)-3-(1-naphthylmethyl)-

Structural Information

Molecular Formula
C14H15BrN2O
SMILES
C1=CC=C2C(=C1)C=CC=C2CNC(=O)NCCBr
InChI
InChI=1S/C14H15BrN2O/c15-8-9-16-14(18)17-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2,(H2,16,17,18)
InChIKey
IDDFUWIMESBRMG-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-(naphthalen-1-ylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.03677 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.04405 161.9
[M+Na]+ 329.02599 170.5
[M-H]- 305.02949 168.2
[M+NH4]+ 324.07059 180.7
[M+K]+ 344.99993 158.1
[M+H-H2O]+ 289.03403 160.0
[M+HCOO]- 351.03497 183.3
[M+CH3COO]- 365.05062 204.4
[M+Na-2H]- 327.01144 169.9
[M]+ 306.03622 179.6
[M]- 306.03732 179.6
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.