CID 16102541

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

Structural Information

Molecular Formula
C26H24N2O
SMILES
CCCCC(C1=C2C=C(C=CN2C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C#N)O
InChI
InChI=1S/C26H24N2O/c1-2-3-14-23(29)25-22-17-19(18-27)15-16-28(22)26(21-12-8-5-9-13-21)24(25)20-10-6-4-7-11-20/h4-13,15-17,23,29H,2-3,14H2,1H3
InChIKey
CJIZMDNXXWOOBD-UHFFFAOYSA-N
Compound name
1-(1-hydroxypentyl)-2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.18887 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19615 201.8
[M+Na]+ 403.17809 212.1
[M-H]- 379.18159 207.1
[M+NH4]+ 398.22269 212.3
[M+K]+ 419.15203 200.7
[M+H-H2O]+ 363.18613 185.3
[M+HCOO]- 425.18707 217.5
[M+CH3COO]- 439.20272 209.3
[M+Na-2H]- 401.16354 201.0
[M]+ 380.18832 198.0
[M]- 380.18942 198.0
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.