CID 11399608

Bmvc

Structural Information

Molecular Formula
C28H25N3
SMILES
C[N+]1=CC=C(C=C1)/C=C/C2=CC3=C(NC4=C3C=C(C=C4)/C=C/C5=CC=[N+](C=C5)C)C=C2
InChI
InChI=1S/C28H24N3/c1-30-15-11-21(12-16-30)3-5-23-7-9-27-25(19-23)26-20-24(8-10-28(26)29-27)6-4-22-13-17-31(2)18-14-22/h3-20H,1-2H3/q+1/p+1
InChIKey
LXYNXOVLEQWDLL-UHFFFAOYSA-O
Compound name
3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

403.20483 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.21211 213.0
[M+Na]+ 426.19405 221.4
[M-H]- 402.19755 219.8
[M+NH4]+ 421.23865 221.7
[M+K]+ 442.16799 199.4
[M+H-H2O]+ 386.20209 205.5
[M+HCOO]- 448.20303 228.4
[M+CH3COO]- 462.21868 210.6
[M+Na-2H]- 424.17950 219.0
[M]+ 403.20428 210.9
[M]- 403.20538 210.9
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

patents stripe