CID 16102542

1-(1-hydroxy-3-methyl-butyl)-2,3-diphenyl-indolizine-7-carbonitrile

Structural Information

Molecular Formula
C26H24N2O
SMILES
CC(C)CC(C1=C2C=C(C=CN2C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C#N)O
InChI
InChI=1S/C26H24N2O/c1-18(2)15-23(29)25-22-16-19(17-27)13-14-28(22)26(21-11-7-4-8-12-21)24(25)20-9-5-3-6-10-20/h3-14,16,18,23,29H,15H2,1-2H3
InChIKey
RVFWHLQXJWIQIJ-UHFFFAOYSA-N
Compound name
1-(1-hydroxy-3-methylbutyl)-2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.18887 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19615 202.7
[M+Na]+ 403.17809 212.7
[M-H]- 379.18159 208.2
[M+NH4]+ 398.22269 213.2
[M+K]+ 419.15203 201.8
[M+H-H2O]+ 363.18613 186.5
[M+HCOO]- 425.18707 217.6
[M+CH3COO]- 439.20272 210.1
[M+Na-2H]- 401.16354 200.9
[M]+ 380.18832 198.5
[M]- 380.18942 198.5
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.