CID 103868

54060-93-4

Structural Information

Molecular Formula
C29H29N2O
SMILES
CC1(C2=C(C=CC(=C2)OC)[N+](=C1C=CC3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5)C)C
InChI
InChI=1S/C29H29N2O/c1-29(2)24-19-21(32-5)15-17-26(24)30(3)27(29)18-16-23-22-13-9-10-14-25(22)31(4)28(23)20-11-7-6-8-12-20/h6-19H,1-5H3/q+1
InChIKey
AUJSGRUXYJANJL-UHFFFAOYSA-N
Compound name
5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]indol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.228 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.23528 213.7
[M+Na]+ 444.21722 225.2
[M-H]- 420.22072 224.6
[M+NH4]+ 439.26182 228.9
[M+K]+ 460.19116 210.9
[M+H-H2O]+ 404.22526 205.7
[M+HCOO]- 466.22620 233.5
[M+CH3COO]- 480.24185 224.2
[M+Na-2H]- 442.20267 214.3
[M]+ 421.22745 218.8
[M]- 421.22855 218.8
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.