CID 6525437

56289-64-6

Structural Information

Molecular Formula
C35H35N2
SMILES
CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C=C/C=C\4/C(C5=C(N4C)C=CC6=CC=CC=C65)(C)C)C
InChI
InChI=1S/C35H35N2/c1-34(2)30(36(5)28-22-20-24-14-10-12-16-26(24)32(28)34)18-8-7-9-19-31-35(3,4)33-27-17-13-11-15-25(27)21-23-29(33)37(31)6/h7-23H,1-6H3/q+1
InChIKey
ZBKIEXOQKDKCAE-UHFFFAOYSA-N
Compound name
(2Z)-1,1,3-trimethyl-2-[(2E,4E)-5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

483.28003 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.28731 225.4
[M+Na]+ 506.26925 245.1
[M+NH4]+ 501.31385 238.3
[M+K]+ 522.24319 232.3
[M-H]- 482.27275 233.3
[M+Na-2H]- 504.25470 233.2
[M]+ 483.27948 231.6
[M]- 483.28058 231.6
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