CID 491916

Chembl1916446

Structural Information

Molecular Formula
C23H18N2O
SMILES
CC(C1=C2C=C(C=CN2C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C#N)O
InChI
InChI=1S/C23H18N2O/c1-16(26)21-20-14-17(15-24)12-13-25(20)23(19-10-6-3-7-11-19)22(21)18-8-4-2-5-9-18/h2-14,16,26H,1H3
InChIKey
POUHHEASNXRQID-UHFFFAOYSA-N
Compound name
1-(1-hydroxyethyl)-2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

338.1419 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14918 190.1
[M+Na]+ 361.13112 201.7
[M-H]- 337.13462 196.0
[M+NH4]+ 356.17572 202.2
[M+K]+ 377.10506 190.9
[M+H-H2O]+ 321.13916 174.2
[M+HCOO]- 383.14010 206.8
[M+CH3COO]- 397.15575 198.8
[M+Na-2H]- 359.11657 190.8
[M]+ 338.14135 185.5
[M]- 338.14245 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.