CID 3047419

Vufb10.548

Structural Information

Molecular Formula
C27H29N
SMILES
C1CC2=CC3=C(CN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)C=C2C1
InChI
InChI=1S/C27H29N/c1-3-8-21(9-4-1)27(22-10-5-2-6-11-22)15-17-28-16-14-25-18-23-12-7-13-24(23)19-26(25)20-28/h1-6,8-11,18-19,27H,7,12-17,20H2
InChIKey
WAXWGVSIEIYNEJ-UHFFFAOYSA-N
Compound name
2-(3,3-diphenylpropyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.23 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.23728 194.7
[M+Na]+ 390.21922 210.3
[M+NH4]+ 385.26382 205.5
[M+K]+ 406.19316 200.3
[M-H]- 366.22272 203.1
[M+Na-2H]- 388.20467 203.8
[M]+ 367.22945 199.6
[M]- 367.23055 199.6
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.