CID 16102539

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

Structural Information

Molecular Formula
C24H20N2O
SMILES
CCC(C1=C2C=C(C=CN2C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C#N)O
InChI
InChI=1S/C24H20N2O/c1-2-21(27)23-20-15-17(16-25)13-14-26(20)24(19-11-7-4-8-12-19)22(23)18-9-5-3-6-10-18/h3-15,21,27H,2H2,1H3
InChIKey
JMBMRSQNCIJPML-UHFFFAOYSA-N
Compound name
1-(1-hydroxypropyl)-2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.15756 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16484 194.0
[M+Na]+ 375.14678 205.2
[M-H]- 351.15028 199.7
[M+NH4]+ 370.19138 205.6
[M+K]+ 391.12072 194.1
[M+H-H2O]+ 335.15482 177.9
[M+HCOO]- 397.15576 210.4
[M+CH3COO]- 411.17141 202.3
[M+Na-2H]- 373.13223 194.2
[M]+ 352.15701 189.7
[M]- 352.15811 189.7
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.