CID 38559

O-bromo-n-(4-bromopentyl)-n-ethylbenzylamine oxalate

Structural Information

Molecular Formula
C14H21Br2N
SMILES
CCN(CCCC(C)Br)CC1=CC=CC=C1Br
InChI
InChI=1S/C14H21Br2N/c1-3-17(10-6-7-12(2)15)11-13-8-4-5-9-14(13)16/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKey
LVDRXNTXODELHF-UHFFFAOYSA-N
Compound name
4-bromo-N-[(2-bromophenyl)methyl]-N-ethylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.00406 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.01134 164.9
[M+Na]+ 383.99328 172.8
[M-H]- 359.99678 171.7
[M+NH4]+ 379.03788 182.2
[M+K]+ 399.96722 157.1
[M+H-H2O]+ 344.00132 171.0
[M+HCOO]- 406.00226 180.2
[M+CH3COO]- 420.01791 219.0
[M+Na-2H]- 381.97873 168.6
[M]+ 361.00351 199.9
[M]- 361.00461 199.9
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.