CID 66523676

1135933-68-4

Structural Information

Molecular Formula
C35H35N2
SMILES
CCCCN1C2=CC=CC3=C2C(=CC=C3)C1=CC=CC=CC4=[N+](C5=CC=CC6=C5C4=CC=C6)CCCC
InChI
InChI=1S/C35H35N2/c1-3-5-24-36-30(28-18-10-14-26-16-12-22-32(36)34(26)28)20-8-7-9-21-31-29-19-11-15-27-17-13-23-33(35(27)29)37(31)25-6-4-2/h7-23H,3-6,24-25H2,1-2H3/q+1
InChIKey
QIGCCWDTERVNTA-UHFFFAOYSA-N
Compound name
1-butyl-2-[5-(1-butylbenzo[cd]indol-1-ium-2-yl)penta-2,4-dienylidene]benzo[cd]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

483.28003 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.28731 225.3
[M+Na]+ 506.26925 245.1
[M+NH4]+ 501.31385 235.4
[M+K]+ 522.24319 234.7
[M-H]- 482.27275 232.4
[M+Na-2H]- 504.25470 230.7
[M]+ 483.27948 230.9
[M]- 483.28058 230.9
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