CID 11377295

Bmvc2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

403.20483 Da
Monoisotopic Mass

6.1
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

No literature data available for this compound.

Patent stripe

patents stripe