CID 491858

Chembl1916448

Structural Information

Molecular Formula
C29H22N2O
SMILES
CC(C1=CC=CC=C1)(C2=C3C=C(C=CN3C(=C2C4=CC=CC=C4)C5=CC=CC=C5)C#N)O
InChI
InChI=1S/C29H22N2O/c1-29(32,24-15-9-4-10-16-24)27-25-19-21(20-30)17-18-31(25)28(23-13-7-3-8-14-23)26(27)22-11-5-2-6-12-22/h2-19,32H,1H3
InChIKey
KYVJXHNJWFCRJM-UHFFFAOYSA-N
Compound name
1-(1-hydroxy-1-phenylethyl)-2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

414.17322 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.18050 216.1
[M+Na]+ 437.16244 227.0
[M-H]- 413.16594 223.7
[M+NH4]+ 432.20704 224.6
[M+K]+ 453.13638 214.0
[M+H-H2O]+ 397.17048 198.8
[M+HCOO]- 459.17142 230.9
[M+CH3COO]- 473.18707 222.8
[M+Na-2H]- 435.14789 216.8
[M]+ 414.17267 210.5
[M]- 414.17377 210.5
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.