CID 114398

1-indanpropylamine, 1-phenyl-n,n,3-trimethyl-, hydrochloride

Structural Information

Molecular Formula
C21H27N
SMILES
CC1(CC(C2=CC=CC=C21)CCCN(C)C)C3=CC=CC=C3
InChI
InChI=1S/C21H27N/c1-21(18-11-5-4-6-12-18)16-17(10-9-15-22(2)3)19-13-7-8-14-20(19)21/h4-8,11-14,17H,9-10,15-16H2,1-3H3
InChIKey
AWOSSXOAXQOQHF-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(3-methyl-3-phenyl-1,2-dihydroinden-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.21436 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.221636 173.9
[M+Na]+ 316.203578 180.0
[M-H]- 292.207084 182.3
[M+NH4]+ 311.248183 194.5
[M+K]+ 332.177518 175.3
[M+H-H2O]+ 276.211620 166.0
[M+HCOO]- 338.212561 196.6
[M+CH3COO]- 352.228211 210.8
[M+Na-2H]- 314.189026 176.6
[M]+ 293.21381142 175.0
[M]- 293.21490858 175.0
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.