PubChemLite - Alteminostat (C27H36N6O3)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)C(=O)N(CCCCCCC(=O)NO)C2=CC=C(C=C2)C3=CC4=C(C=C3)C=NN4C

InChI

InChI=1S/C27H36N6O3/c1-30-15-17-32(18-16-30)27(35)33(14-6-4-3-5-7-26(34)29-36)24-12-10-21(11-13-24)22-8-9-23-20-28-31(2)25(23)19-22/h8-13,19-20,36H,3-7,14-18H2,1-2H3,(H,29,34)

InChIKey

YEQGPOVCXMZUBT-UHFFFAOYSA-N

Compound name

N-[7-(hydroxyamino)-7-oxoheptyl]-4-methyl-N-[4-(1-methylindazol-6-yl)phenyl]piperazine-1-carboxamide

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]+	493.29216	220.6
[M+Na]+	515.27410	230.3
[M+NH4]+	510.31870	224.0
[M+K]+	531.24804	226.4
[M-H]-	491.27760	223.9
[M+Na-2H]-	513.25955	225.1
[M]+	492.28433	222.4
[M]-	492.28543	222.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

493.29216

220.6

[M+Na]+

515.27410

230.3

[M+NH4]+

510.31870

224.0

[M+K]+

531.24804

226.4

[M-H]-

491.27760

223.9

[M+Na-2H]-

513.25955

225.1

[M]+

492.28433

222.4

[M]-

492.28543

222.4

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

Alteminostat

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe