CID 16102545

1-(1-hydroxyoctyl)-2,3-diphenyl-indolizine-7-carbonitrile

Structural Information

Molecular Formula
C29H30N2O
SMILES
CCCCCCCC(C1=C2C=C(C=CN2C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C#N)O
InChI
InChI=1S/C29H30N2O/c1-2-3-4-5-12-17-26(32)28-25-20-22(21-30)18-19-31(25)29(24-15-10-7-11-16-24)27(28)23-13-8-6-9-14-23/h6-11,13-16,18-20,26,32H,2-5,12,17H2,1H3
InChIKey
GLSHMAPIXQAYIG-UHFFFAOYSA-N
Compound name
1-(1-hydroxyoctyl)-2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

422.2358 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.24308 213.3
[M+Na]+ 445.22502 222.3
[M-H]- 421.22852 218.1
[M+NH4]+ 440.26962 222.2
[M+K]+ 461.19896 210.3
[M+H-H2O]+ 405.23306 196.3
[M+HCOO]- 467.23400 228.1
[M+CH3COO]- 481.24965 219.6
[M+Na-2H]- 443.21047 211.1
[M]+ 422.23525 210.3
[M]- 422.23635 210.3
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

No patent data available for this compound.