PubChemLite - Givinostat (C24H27N3O4)

Structural Information

Molecular Formula

SMILES

CCN(CC)CC1=CC2=C(C=C1)C=C(C=C2)COC(=O)NC3=CC=C(C=C3)C(=O)NO

InChI

InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)

InChIKey

YALNUENQHAQXEA-UHFFFAOYSA-N

Compound name

[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[4-(hydroxycarbamoyl)phenyl]carbamate

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]+	422.20744	203.5
[M+Na]+	444.18938	213.5
[M+NH4]+	439.23398	208.8
[M+K]+	460.16332	207.1
[M-H]-	420.19288	208.1
[M+Na-2H]-	442.17483	209.2
[M]+	421.19961	205.8
[M]-	421.20071	205.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

422.20744

203.5

[M+Na]+

444.18938

213.5

[M+NH4]+

439.23398

208.8

[M+K]+

460.16332

207.1

[M-H]-

420.19288

208.1

[M+Na-2H]-

442.17483

209.2

[M]+

421.19961

205.8

[M]-

421.20071

205.8

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

Givinostat

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe