CID 112505

62609-83-0

Structural Information

Molecular Formula
C40H40N3
SMILES
CC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=C(C=C3)C)N(C)C4=CC=CC=C4)C=CC=C5C(C6=CC=CC=C6N5C)(C)C
InChI
InChI=1S/C40H40N3/c1-29-19-23-31(24-20-29)33-27-35(15-12-18-39-40(3,4)36-16-10-11-17-37(36)41(39)5)43(42(6)34-13-8-7-9-14-34)38(28-33)32-25-21-30(2)22-26-32/h7-28H,1-6H3/q+1
InChIKey
HBOBJICSSZLURB-UHFFFAOYSA-N
Compound name
N-methyl-2,4-bis(4-methylphenyl)-N-phenyl-6-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]pyridin-1-ium-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.3222 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.32948 256.4
[M+Na]+ 585.31142 262.1
[M-H]- 561.31492 270.7
[M+NH4]+ 580.35602 261.4
[M+K]+ 601.28536 246.0
[M+H-H2O]+ 545.31946 242.5
[M+HCOO]- 607.32040 271.9
[M+CH3COO]- 621.33605 261.3
[M+Na-2H]- 583.29687 252.5
[M]+ 562.32165 255.3
[M]- 562.32275 255.3
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

No patent data available for this compound.