CID 136171111

25784-16-1

Structural Information

Molecular Formula
C20H23N4O
SMILES
CC1=C(C2=CC=CC=C2N1)N=NC3=CC=C(C=C3)C(=O)C[N+](C)(C)C
InChI
InChI=1S/C20H22N4O/c1-14-20(17-7-5-6-8-18(17)21-14)23-22-16-11-9-15(10-12-16)19(25)13-24(2,3)4/h5-12H,13H2,1-4H3/p+1
InChIKey
FYSYHYYKFSXNCB-UHFFFAOYSA-O
Compound name
trimethyl-[2-[4-[(2-methyl-1H-indol-3-yl)diazenyl]phenyl]-2-oxoethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1872 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19448 179.6
[M+Na]+ 358.17642 186.9
[M-H]- 334.17992 189.3
[M+NH4]+ 353.22102 195.2
[M+K]+ 374.15036 177.1
[M+H-H2O]+ 318.18446 173.1
[M+HCOO]- 380.18540 205.9
[M+CH3COO]- 394.20105 216.9
[M+Na-2H]- 356.16187 188.5
[M]+ 335.18665 182.0
[M]- 335.18775 182.0
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.