CID 491875

Chembl1916452

Structural Information

Molecular Formula
C29H22N2O2
SMILES
COC1=CC=C(C=C1)C(C2=C3C=C(C=CN3C(=C2C4=CC=CC=C4)C5=CC=CC=C5)C#N)O
InChI
InChI=1S/C29H22N2O2/c1-33-24-14-12-23(13-15-24)29(32)27-25-18-20(19-30)16-17-31(25)28(22-10-6-3-7-11-22)26(27)21-8-4-2-5-9-21/h2-18,29,32H,1H3
InChIKey
GHMJUMBRYNWIBZ-UHFFFAOYSA-N
Compound name
1-[hydroxy-(4-methoxyphenyl)methyl]-2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

430.16812 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.17540 215.7
[M+Na]+ 453.15734 226.5
[M-H]- 429.16084 223.4
[M+NH4]+ 448.20194 223.6
[M+K]+ 469.13128 214.3
[M+H-H2O]+ 413.16538 198.1
[M+HCOO]- 475.16632 231.2
[M+CH3COO]- 489.18197 222.4
[M+Na-2H]- 451.14279 214.4
[M]+ 430.16757 211.7
[M]- 430.16867 211.7
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.