CID 11247392

1-[hydroxy(phenyl)methyl]-2,3-bis(p-tolyl)indolizine-7-carbonitrile

Structural Information

Molecular Formula
C30H24N2O
SMILES
CC1=CC=C(C=C1)C2=C(N3C=CC(=CC3=C2C(C4=CC=CC=C4)O)C#N)C5=CC=C(C=C5)C
InChI
InChI=1S/C30H24N2O/c1-20-8-12-23(13-9-20)27-28(30(33)25-6-4-3-5-7-25)26-18-22(19-31)16-17-32(26)29(27)24-14-10-21(2)11-15-24/h3-18,30,33H,1-2H3
InChIKey
FNZWOZJMGMXQDV-UHFFFAOYSA-N
Compound name
1-[hydroxy(phenyl)methyl]-2,3-bis(4-methylphenyl)indolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

428.18887 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.19615 217.8
[M+Na]+ 451.17809 229.2
[M-H]- 427.18159 225.7
[M+NH4]+ 446.22269 226.2
[M+K]+ 467.15203 216.1
[M+H-H2O]+ 411.18613 200.3
[M+HCOO]- 473.18707 232.9
[M+CH3COO]- 487.20272 224.6
[M+Na-2H]- 449.16354 215.2
[M]+ 428.18832 213.2
[M]- 428.18942 213.2
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.