CID 9801

Prenylamine

Structural Information

Molecular Formula
C24H27N
SMILES
CC(CC1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3
InChIKey
IFFPICMESYHZPQ-UHFFFAOYSA-N
Compound name
3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

646
References

9275
Patents

329.21436 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.22164 183.2
[M+Na]+ 352.20358 185.1
[M-H]- 328.20708 190.9
[M+NH4]+ 347.24818 195.3
[M+K]+ 368.17752 179.0
[M+H-H2O]+ 312.21162 173.0
[M+HCOO]- 374.21256 204.2
[M+CH3COO]- 388.22821 214.3
[M+Na-2H]- 350.18903 186.2
[M]+ 329.21381 180.8
[M]- 329.21491 180.8
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