CID 11317345

2,3-bis(4-chlorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile

Structural Information

Molecular Formula
C28H18Cl2N2O
SMILES
C1=CC=C(C=C1)C(C2=C3C=C(C=CN3C(=C2C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C#N)O
InChI
InChI=1S/C28H18Cl2N2O/c29-22-10-6-19(7-11-22)25-26(28(33)21-4-2-1-3-5-21)24-16-18(17-31)14-15-32(24)27(25)20-8-12-23(30)13-9-20/h1-16,28,33H
InChIKey
BODFBUQHHNDVHX-UHFFFAOYSA-N
Compound name
2,3-bis(4-chlorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

468.07962 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.08690 221.2
[M+Na]+ 491.06884 235.0
[M-H]- 467.07234 228.4
[M+NH4]+ 486.11344 229.7
[M+K]+ 507.04278 220.3
[M+H-H2O]+ 451.07688 204.9
[M+HCOO]- 513.07782 228.5
[M+CH3COO]- 527.09347 227.9
[M+Na-2H]- 489.05429 218.6
[M]+ 468.07907 220.3
[M]- 468.08017 220.3
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.