CID 3043343

Benzenemethanamine, 2-amino-5-bromo-n-cyclohexyl-n-ethyl-3-methyl-, dihydrochloride

Structural Information

Molecular Formula
C16H25BrN2
SMILES
CCN(CC1=C(C(=CC(=C1)Br)C)N)C2CCCCC2
InChI
InChI=1S/C16H25BrN2/c1-3-19(15-7-5-4-6-8-15)11-13-10-14(17)9-12(2)16(13)18/h9-10,15H,3-8,11,18H2,1-2H3
InChIKey
NQVZVBWRXSYQOH-UHFFFAOYSA-N
Compound name
4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

324.12012 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12740 170.3
[M+Na]+ 347.10934 172.1
[M+NH4]+ 342.15394 175.6
[M+K]+ 363.08328 170.7
[M-H]- 323.11284 174.3
[M+Na-2H]- 345.09479 173.6
[M]+ 324.11957 170.5
[M]- 324.12067 170.5
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

patents stripe