CID 116997

2,3-diphenyl-3h-indolizinium chloride

Structural Information

Molecular Formula
C20H16N
SMILES
C1=CC=C(C=C1)C2C(=CC3=CC=CC=[N+]23)C4=CC=CC=C4
InChI
InChI=1S/C20H16N/c1-3-9-16(10-4-1)19-15-18-13-7-8-14-21(18)20(19)17-11-5-2-6-12-17/h1-15,20H/q+1
InChIKey
JTYHMMBAIPRQJP-UHFFFAOYSA-N
Compound name
2,3-diphenyl-3H-indolizin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.12827 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13555 167.3
[M+Na]+ 293.11749 175.4
[M-H]- 269.12099 176.9
[M+NH4]+ 288.16209 184.1
[M+K]+ 309.09143 163.3
[M+H-H2O]+ 253.12553 160.5
[M+HCOO]- 315.12647 189.6
[M+CH3COO]- 329.14212 179.1
[M+Na-2H]- 291.10294 174.8
[M]+ 270.12772 165.3
[M]- 270.12882 165.3
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.