CID 114398

10565-70-5

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]+ 294.22164 173.9
[M+Na]+ 316.20358 180.0
[M-H]- 292.20708 182.3
[M+NH4]+ 311.24818 194.5
[M+K]+ 332.17752 175.3
[M+H-H2O]+ 276.21162 166.0
[M+HCOO]- 338.21256 196.6
[M+CH3COO]- 352.22821 210.8
[M+Na-2H]- 314.18903 176.6
[M]+ 293.21381 175.0
[M]- 293.21491 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.