CID 16102540

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

Structural Information

Molecular Formula
C25H22N2O
SMILES
CCCC(C1=C2C=C(C=CN2C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C#N)O
InChI
InChI=1S/C25H22N2O/c1-2-9-22(28)24-21-16-18(17-26)14-15-27(21)25(20-12-7-4-8-13-20)23(24)19-10-5-3-6-11-19/h3-8,10-16,22,28H,2,9H2,1H3
InChIKey
BSZBKAPLRPKPLN-UHFFFAOYSA-N
Compound name
1-(1-hydroxybutyl)-2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.17322 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.18050 197.9
[M+Na]+ 389.16244 208.7
[M-H]- 365.16594 203.4
[M+NH4]+ 384.20704 209.0
[M+K]+ 405.13638 197.4
[M+H-H2O]+ 349.17048 181.6
[M+HCOO]- 411.17142 214.0
[M+CH3COO]- 425.18707 205.8
[M+Na-2H]- 387.14789 197.6
[M]+ 366.17267 193.9
[M]- 366.17377 193.9
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.