CID 3025310

102434-27-5

Structural Information

Molecular Formula
C17H21BrN2O2
SMILES
CC(C)OC1=CC=C(C2=CC=CC=C21)CNC(=O)NCCBr
InChI
InChI=1S/C17H21BrN2O2/c1-12(2)22-16-8-7-13(11-20-17(21)19-10-9-18)14-5-3-4-6-15(14)16/h3-8,12H,9-11H2,1-2H3,(H2,19,20,21)
InChIKey
MKJFQRQGXIZLIA-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-[(4-propan-2-yloxynaphthalen-1-yl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.07864 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.08592 179.3
[M+Na]+ 387.06786 186.8
[M-H]- 363.07136 185.2
[M+NH4]+ 382.11246 195.8
[M+K]+ 403.04180 174.9
[M+H-H2O]+ 347.07590 176.6
[M+HCOO]- 409.07684 198.7
[M+CH3COO]- 423.09249 216.7
[M+Na-2H]- 385.05331 183.7
[M]+ 364.07809 198.8
[M]- 364.07919 198.8
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.