CID 16102543

1-(1-hydroxy-2,2-dimethyl-propyl)-2,3-diphenyl-indolizine-7-carbonitrile

Structural Information

Molecular Formula
C26H24N2O
SMILES
CC(C)(C)C(C1=C2C=C(C=CN2C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C#N)O
InChI
InChI=1S/C26H24N2O/c1-26(2,3)25(29)23-21-16-18(17-27)14-15-28(21)24(20-12-8-5-9-13-20)22(23)19-10-6-4-7-11-19/h4-16,25,29H,1-3H3
InChIKey
HVONXDJPFIHPDV-UHFFFAOYSA-N
Compound name
1-(1-hydroxy-2,2-dimethylpropyl)-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 206.1
[M+Na]+ 403.17809 216.7
[M-H]- 379.18159 211.9
[M+NH4]+ 398.22269 216.8
[M+K]+ 419.15203 206.1
[M+H-H2O]+ 363.18613 190.3
[M+HCOO]- 425.18707 220.4
[M+CH3COO]- 439.20272 213.6
[M+Na-2H]- 401.16354 205.8
[M]+ 380.18832 201.9
[M]- 380.18942 201.9
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.