CID 3336

Fendiline

Structural Information

Molecular Formula
C23H25N
SMILES
CC(C1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3
InChIKey
NMKSAYKQLCHXDK-UHFFFAOYSA-N
Compound name
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

181
References

8382
Patents

315.1987 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20598 178.6
[M+Na]+ 338.18792 181.0
[M-H]- 314.19142 186.6
[M+NH4]+ 333.23252 191.4
[M+K]+ 354.16186 175.2
[M+H-H2O]+ 298.19596 168.7
[M+HCOO]- 360.19690 200.1
[M+CH3COO]- 374.21255 187.9
[M+Na-2H]- 336.17337 182.3
[M]+ 315.19815 176.0
[M]- 315.19925 176.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe