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 235.0
[M+Na]+ 506.26925 242.9
[M-H]- 482.27275 241.2
[M+NH4]+ 501.31385 247.4
[M+K]+ 522.24319 225.2
[M+H-H2O]+ 466.27729 225.6
[M+HCOO]- 528.27823 250.5
[M+CH3COO]- 542.29388 241.4
[M+Na-2H]- 504.25470 234.9
[M]+ 483.27948 241.1
[M]- 483.28058 241.1
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