CID 46783943

1135933-71-9

Structural Information

Molecular Formula
C43H51N2O2
SMILES
CCCCN\1C2=C3C(=C(C=C2)OCCCC)C=CC=C3/C1=C/C=C/C=C/C4=[N+](C5=C6C4=CC=CC6=C(C=C5)OCCCC)CCCC
InChI
InChI=1S/C43H51N2O2/c1-5-9-28-44-36(32-18-16-20-34-40(46-30-11-7-3)26-24-38(44)42(32)34)22-14-13-15-23-37-33-19-17-21-35-41(47-31-12-8-4)27-25-39(43(33)35)45(37)29-10-6-2/h13-27H,5-12,28-31H2,1-4H3/q+1
InChIKey
AQMDLLYEXVFEFC-UHFFFAOYSA-N
Compound name
(2Z)-6-butoxy-2-[(2E,4E)-5-(6-butoxy-1-butylbenzo[cd]indol-1-ium-2-yl)penta-2,4-dienylidene]-1-butylbenzo[cd]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

627.3951 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 628.40238 268.7
[M+Na]+ 650.38432 286.3
[M+NH4]+ 645.42892 276.2
[M+K]+ 666.35826 275.5
[M-H]- 626.38782 274.7
[M+Na-2H]- 648.36977 270.5
[M]+ 627.39455 273.6
[M]- 627.39565 273.6
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