CID 491919

Chembl1916435

Structural Information

Molecular Formula
C28H20N2
SMILES
C1=CC=C(C=C1)CC2=C3C=C(C=CN3C(=C2C4=CC=CC=C4)C5=CC=CC=C5)C#N
InChI
InChI=1S/C28H20N2/c29-20-22-16-17-30-26(19-22)25(18-21-10-4-1-5-11-21)27(23-12-6-2-7-13-23)28(30)24-14-8-3-9-15-24/h1-17,19H,18H2
InChIKey
RSMBALANPLMYFZ-UHFFFAOYSA-N
Compound name
1-benzyl-2,3-diphenylindolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

384.16266 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16994 205.0
[M+Na]+ 407.15188 216.9
[M-H]- 383.15538 213.5
[M+NH4]+ 402.19648 215.3
[M+K]+ 423.12582 203.0
[M+H-H2O]+ 367.15992 187.1
[M+HCOO]- 429.16086 222.8
[M+CH3COO]- 443.17651 212.9
[M+Na-2H]- 405.13733 205.9
[M]+ 384.16211 199.9
[M]- 384.16321 199.9
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.