CID 114412

Indene-1-propylamine, n,3-dimethyl-1-phenyl-, hydrochloride

Structural Information

Molecular Formula
C20H23N
SMILES
CC1=CC(C2=CC=CC=C12)(CCCNC)C3=CC=CC=C3
InChI
InChI=1S/C20H23N/c1-16-15-20(13-8-14-21-2,17-9-4-3-5-10-17)19-12-7-6-11-18(16)19/h3-7,9-12,15,21H,8,13-14H2,1-2H3
InChIKey
PWTGRWGGDFQNKK-UHFFFAOYSA-N
Compound name
N-methyl-3-(3-methyl-1-phenylinden-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.18304 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.190316 167.6
[M+Na]+ 300.172258 175.1
[M-H]- 276.175764 175.2
[M+NH4]+ 295.216863 188.3
[M+K]+ 316.146198 169.1
[M+H-H2O]+ 260.180300 160.0
[M+HCOO]- 322.181241 191.7
[M+CH3COO]- 336.196891 179.7
[M+Na-2H]- 298.157706 172.7
[M]+ 277.18249142 168.6
[M]- 277.18358858 168.6
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.