CID 3044111

Benzenebutanamine, delta-phenyl-n,alpha,alpha-trimethyl-, hydrochloride

Structural Information

Molecular Formula
C19H25N
SMILES
CC(C)(CCC(C1=CC=CC=C1)C2=CC=CC=C2)NC
InChI
InChI=1S/C19H25N/c1-19(2,20-3)15-14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18,20H,14-15H2,1-3H3
InChIKey
NCKGDRPFGHZICT-UHFFFAOYSA-N
Compound name
N,2-dimethyl-5,5-diphenylpentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1987 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.20598 166.6
[M+Na]+ 290.18792 170.4
[M-H]- 266.19142 172.3
[M+NH4]+ 285.23252 182.4
[M+K]+ 306.16186 166.1
[M+H-H2O]+ 250.19596 158.8
[M+HCOO]- 312.19690 187.8
[M+CH3COO]- 326.21255 203.2
[M+Na-2H]- 288.17337 171.8
[M]+ 267.19815 165.6
[M]- 267.19925 165.6
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.