Loprazolam (C23H21ClN6O3)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)/C=C\2/C(=O)N3C(=N2)CN=C(C4=C3C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5Cl

InChI

InChI=1S/C23H21ClN6O3/c1-27-8-10-28(11-9-27)14-19-23(31)29-20-7-6-15(30(32)33)12-17(20)22(25-13-21(29)26-19)16-4-2-3-5-18(16)24/h2-7,12,14H,8-11,13H2,1H3/b19-14-

InChIKey

UTEFBSAVJNEPTR-RGEXLXHISA-N

Compound name

(2Z)-6-(2-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methylidene]-8-nitro-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one

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]+	465.14363	216.7
[M+Na]+	487.12557	223.8
[M-H]-	463.12907	222.5
[M+NH4]+	482.17017	221.3
[M+K]+	503.09951	215.8
[M+H-H2O]+	447.13361	206.1
[M+HCOO]-	509.13455	223.6
[M+CH3COO]-	523.15020	227.4
[M+Na-2H]-	485.11102	217.4
[M]+	464.13580	211.3
[M]-	464.13690	211.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.14363

216.7

[M+Na]+

487.12557

223.8

[M-H]-

463.12907

222.5

[M+NH4]+

482.17017

221.3

[M+K]+

503.09951

215.8

[M+H-H2O]+

447.13361

206.1

[M+HCOO]-

509.13455

223.6

[M+CH3COO]-

523.15020

227.4

[M+Na-2H]-

485.11102

217.4

[M]+

464.13580

211.3

[M]-

464.13690

211.3

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

Loprazolam

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe