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 173.6
[M+Na]+ 347.10934 180.3
[M-H]- 323.11284 182.2
[M+NH4]+ 342.15394 191.2
[M+K]+ 363.08328 168.5
[M+H-H2O]+ 307.11738 171.0
[M+HCOO]- 369.11832 192.1
[M+CH3COO]- 383.13397 213.4
[M+Na-2H]- 345.09479 175.0
[M]+ 324.11957 187.7
[M]- 324.12067 187.7
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

patents stripe