PubChemLite - Phenazoviridin (C24H26N2O6)

Structural Information

Molecular Formula

SMILES

C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)OC(=O)C2=CC=CC3=NC4=C(C=CC=C4N=C32)CC=C(C)C)O)O)O

InChI

InChI=1S/C24H26N2O6/c1-12(2)10-11-14-6-4-8-16-18(14)25-17-9-5-7-15(19(17)26-16)23(30)32-24-22(29)21(28)20(27)13(3)31-24/h4-10,13,20-22,24,27-29H,11H2,1-3H3/t13-,20+,21+,22+,24-/m0/s1

InChIKey

YYAZCIFRQFQQRH-PQILALKLSA-N

Compound name

[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] 6-(3-methylbut-2-enyl)phenazine-1-carboxylate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	439.18636	207.1
[M+Na]+	461.16830	213.8
[M-H]-	437.17180	209.7
[M+NH4]+	456.21290	212.4
[M+K]+	477.14224	209.8
[M+H-H2O]+	421.17634	196.9
[M+HCOO]-	483.17728	215.4
[M+CH3COO]-	497.19293	228.2
[M+Na-2H]-	459.15375	206.4
[M]+	438.17853	208.9
[M]-	438.17963	208.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.18636

207.1

[M+Na]+

461.16830

213.8

[M-H]-

437.17180

209.7

[M+NH4]+

456.21290

212.4

[M+K]+

477.14224

209.8

[M+H-H2O]+

421.17634

196.9

[M+HCOO]-

483.17728

215.4

[M+CH3COO]-

497.19293

228.2

[M+Na-2H]-

459.15375

206.4

[M]+

438.17853

208.9

[M]-

438.17963

208.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Phenazoviridin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe