CID 6912370

123202-75-5

Structural Information

Molecular Formula
C26H24N3O2
SMILES
CC1=NC2=C3C=C(/C(=C/C4=C(C=CC(=C4)OC)OC)/N3C=CC2=[N+]1C)C5=CC=CC=C5
InChI
InChI=1S/C26H24N3O2/c1-17-27-26-22(28(17)2)12-13-29-23(15-19-14-20(30-3)10-11-25(19)31-4)21(16-24(26)29)18-8-6-5-7-9-18/h5-16H,1-4H3/q+1/b23-15-
InChIKey
SMLXOPRBUGQMNC-HAHDFKILSA-N
Compound name
(7Z)-7-[(2,5-dimethoxyphenyl)methylidene]-2,3-dimethyl-8-phenylimidazo[4,5-g]indolizin-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.18686 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19414 208.3
[M+Na]+ 433.17608 220.6
[M-H]- 409.17958 218.5
[M+NH4]+ 428.22068 220.5
[M+K]+ 449.15002 207.2
[M+H-H2O]+ 393.18412 200.1
[M+HCOO]- 455.18506 229.1
[M+CH3COO]- 469.20071 218.7
[M+Na-2H]- 431.16153 210.5
[M]+ 410.18631 215.2
[M]- 410.18741 215.2
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.