CID 3044888

Benzenemethanamine, 2-amino-5-bromo-n-cyclohexyl-4-(1,1-dimethylethyl)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C18H29BrN2
SMILES
CC(C)(C)C1=C(C=C(C(=C1)N)CN(C)C2CCCCC2)Br
InChI
InChI=1S/C18H29BrN2/c1-18(2,3)15-11-17(20)13(10-16(15)19)12-21(4)14-8-6-5-7-9-14/h10-11,14H,5-9,12,20H2,1-4H3
InChIKey
GYBALGXHPKEITN-UHFFFAOYSA-N
Compound name
4-bromo-5-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

352.1514 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.15868 182.9
[M+Na]+ 375.14062 189.2
[M-H]- 351.14412 191.5
[M+NH4]+ 370.18522 199.6
[M+K]+ 391.11456 177.5
[M+H-H2O]+ 335.14866 180.5
[M+HCOO]- 397.14960 199.3
[M+CH3COO]- 411.16525 218.8
[M+Na-2H]- 373.12607 183.9
[M]+ 352.15085 197.1
[M]- 352.15195 197.1
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