CID 3025308

102434-23-1

Structural Information

Molecular Formula
C15H17BrN2O2
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)NC(=O)NCCBr
InChI
InChI=1S/C15H17BrN2O2/c1-2-20-13-8-7-11-5-3-4-6-12(11)14(13)18-15(19)17-10-9-16/h3-8H,2,9-10H2,1H3,(H2,17,18,19)
InChIKey
UHRBGPMASDLVQW-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-(2-ethoxynaphthalen-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.04733 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.054606 169.1
[M+Na]+ 359.036548 177.8
[M-H]- 335.040054 175.4
[M+NH4]+ 354.081153 186.9
[M+K]+ 375.010488 165.9
[M+H-H2O]+ 319.044590 166.8
[M+HCOO]- 381.045531 190.3
[M+CH3COO]- 395.061181 210.3
[M+Na-2H]- 357.021996 175.9
[M]+ 336.04678142 188.7
[M]- 336.04787858 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.