CID 3025312

102434-29-7

Structural Information

Molecular Formula
C14H15BrN2O
SMILES
CN(C1=CC=CC2=CC=CC=C21)C(=O)NCCBr
InChI
InChI=1S/C14H15BrN2O/c1-17(14(18)16-10-9-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3,(H,16,18)
InChIKey
WVJVTGNCRLVKTL-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)-1-methyl-1-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.03677 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.04405 162.7
[M+Na]+ 329.02599 171.4
[M-H]- 305.02949 170.3
[M+NH4]+ 324.07059 182.0
[M+K]+ 344.99993 160.3
[M+H-H2O]+ 289.03403 160.7
[M+HCOO]- 351.03497 184.5
[M+CH3COO]- 365.05062 207.6
[M+Na-2H]- 327.01144 169.9
[M]+ 306.03622 181.5
[M]- 306.03732 181.5
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.