CID 114400

10565-71-6

Structural Information

Molecular Formula
C20H25N
SMILES
CC1CC(C2=CC=CC=C12)(CCCNC)C3=CC=CC=C3
InChI
InChI=1S/C20H25N/c1-16-15-20(13-8-14-21-2,17-9-4-3-5-10-17)19-12-7-6-11-18(16)19/h3-7,9-12,16,21H,8,13-15H2,1-2H3
InChIKey
HVMBWPFYNPZXHH-UHFFFAOYSA-N
Compound name
N-methyl-3-(3-methyl-1-phenyl-2,3-dihydroinden-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.1987 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.20598 168.7
[M+Na]+ 302.18792 175.2
[M-H]- 278.19142 175.9
[M+NH4]+ 297.23252 189.3
[M+K]+ 318.16186 169.3
[M+H-H2O]+ 262.19596 161.2
[M+HCOO]- 324.19690 191.3
[M+CH3COO]- 338.21255 180.3
[M+Na-2H]- 300.17337 172.9
[M]+ 279.19815 168.3
[M]- 279.19925 168.3
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