CID 3069555

Ammonium, oxybis((5,3-indolylene)methylene)bis(trimethyl-, bis(methyl sulfate)

Structural Information

Molecular Formula
C24H32N4O
SMILES
C[N+](C)(C)CC1=CNC2=C1C=C(C=C2)OC3=CC4=C(C=C3)NC=C4C[N+](C)(C)C
InChI
InChI=1S/C24H32N4O/c1-27(2,3)15-17-13-25-23-9-7-19(11-21(17)23)29-20-8-10-24-22(12-20)18(14-26-24)16-28(4,5)6/h7-14,25-26H,15-16H2,1-6H3/q+2
InChIKey
DTYHFYNIVOXIPS-UHFFFAOYSA-N
Compound name
trimethyl-[[5-[[3-[(trimethylazaniumyl)methyl]-1H-indol-5-yl]oxy]-1H-indol-3-yl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.2576 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.26488 197.1
[M+Na]+ 415.24682 204.6
[M-H]- 391.25032 204.7
[M+NH4]+ 410.29142 210.9
[M+K]+ 431.22076 187.9
[M+H-H2O]+ 375.25486 194.1
[M+HCOO]- 437.25580 216.6
[M+CH3COO]- 451.27145 215.9
[M+Na-2H]- 413.23227 208.1
[M]+ 392.25705 199.6
[M]- 392.25815 199.6
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

No patent data available for this compound.