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 192.5
[M+Na]+ 390.21922 195.5
[M-H]- 366.22272 200.4
[M+NH4]+ 385.26382 205.8
[M+K]+ 406.19316 187.4
[M+H-H2O]+ 350.22726 181.3
[M+HCOO]- 412.22820 207.0
[M+CH3COO]- 426.24385 200.3
[M+Na-2H]- 388.20467 192.5
[M]+ 367.22945 187.3
[M]- 367.23055 187.3
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

No patent data available for this compound.