CID 16727578

1-bromo-2,3-bis(p-tolyl)indolizine-7-carbonitrile

Structural Information

Molecular Formula
C23H17BrN2
SMILES
CC1=CC=C(C=C1)C2=C(N3C=CC(=CC3=C2Br)C#N)C4=CC=C(C=C4)C
InChI
InChI=1S/C23H17BrN2/c1-15-3-7-18(8-4-15)21-22(24)20-13-17(14-25)11-12-26(20)23(21)19-9-5-16(2)6-10-19/h3-13H,1-2H3
InChIKey
DRPFOYMSPXTNLX-UHFFFAOYSA-N
Compound name
1-bromo-2,3-bis(4-methylphenyl)indolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.0575 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.06478 195.7
[M+Na]+ 423.04672 211.9
[M-H]- 399.05022 204.2
[M+NH4]+ 418.09132 210.4
[M+K]+ 439.02066 194.7
[M+H-H2O]+ 383.05476 186.5
[M+HCOO]- 445.05570 214.5
[M+CH3COO]- 459.07135 206.8
[M+Na-2H]- 421.03217 197.1
[M]+ 400.05695 209.5
[M]- 400.05805 209.5
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.