PubChemLite - Ncu-190na (C23H22N4O5)

Structural Information

Molecular Formula

SMILES

CN(C)CCNC(=O)C1=C(C2=CC=CC=C2C3=NC4=C(C=C(C(=C4)OC)C(=O)O)N=C13)O

InChI

InChI=1S/C23H22N4O5/c1-27(2)9-8-24-22(29)18-20-19(12-6-4-5-7-13(12)21(18)28)25-16-11-17(32-3)14(23(30)31)10-15(16)26-20/h4-7,10-11,28H,8-9H2,1-3H3,(H,24,29)(H,30,31)

InChIKey

CWXOTYALTFTBAO-UHFFFAOYSA-N

Compound name

6-[2-(dimethylamino)ethylcarbamoyl]-5-hydroxy-10-methoxybenzo[a]phenazine-9-carboxylic acid

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]+	435.16631	202.8
[M+Na]+	457.14825	215.8
[M+NH4]+	452.19285	207.7
[M+K]+	473.12219	210.3
[M-H]-	433.15175	204.8
[M+Na-2H]-	455.13370	206.1
[M]+	434.15848	205.0
[M]-	434.15958	205.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

435.16631

202.8

[M+Na]+

457.14825

215.8

[M+NH4]+

452.19285

207.7

[M+K]+

473.12219

210.3

[M-H]-

433.15175

204.8

[M+Na-2H]-

455.13370

206.1

[M]+

434.15848

205.0

[M]-

434.15958

205.0

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

Ncu-190na

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe