PubChemLite - 24796-94-9 (C20H26N3O)

Structural Information

Molecular Formula

C₂₀H₂₆N₃O

SMILES

CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2

InChI

InChI=1S/C20H26N3O/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17/h9-14H,5-8H2,1-4H3/q+1

InChIKey

OELZFJUWWFRWLC-UHFFFAOYSA-N

Compound name

[7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium

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]+	325.21486	181.7
[M+Na]+	347.19680	188.3
[M-H]-	323.20030	188.8
[M+NH4]+	342.24140	195.8
[M+K]+	363.17074	180.3
[M+H-H2O]+	307.20484	174.5
[M+HCOO]-	369.20578	202.7
[M+CH3COO]-	383.22143	215.9
[M+Na-2H]-	345.18225	190.2
[M]+	324.20703	185.4
[M]-	324.20813	185.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

325.21486

181.7

[M+Na]+

347.19680

188.3

[M-H]-

323.20030

188.8

[M+NH4]+

342.24140

195.8

[M+K]+

363.17074

180.3

[M+H-H2O]+

307.20484

174.5

[M+HCOO]-

369.20578

202.7

[M+CH3COO]-

383.22143

215.9

[M+Na-2H]-

345.18225

190.2

[M]+

324.20703

185.4

[M]-

324.20813

185.4

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

24796-94-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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