PubChemLite - Remimazolam (C21H19BrN4O2)

Structural Information

Molecular Formula

SMILES

CC1=CN=C2N1C3=C(C=C(C=C3)Br)C(=N[C@H]2CCC(=O)OC)C4=CC=CC=N4

InChI

InChI=1S/C21H19BrN4O2/c1-13-12-24-21-17(7-9-19(27)28-2)25-20(16-5-3-4-10-23-16)15-11-14(22)6-8-18(15)26(13)21/h3-6,8,10-12,17H,7,9H2,1-2H3/t17-/m0/s1

InChIKey

CYHWMBVXXDIZNZ-KRWDZBQOSA-N

Compound name

methyl 3-[(4S)-8-bromo-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]propanoate

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]+	439.07643	194.5
[M+Na]+	461.05837	198.7
[M+NH4]+	456.10297	197.0
[M+K]+	477.03231	199.4
[M-H]-	437.06187	195.1
[M+Na-2H]-	459.04382	196.6
[M]+	438.06860	194.3
[M]-	438.06970	194.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.07643

194.5

[M+Na]+

461.05837

198.7

[M+NH4]+

456.10297

197.0

[M+K]+

477.03231

199.4

[M-H]-

437.06187

195.1

[M+Na-2H]-

459.04382

196.6

[M]+

438.06860

194.3

[M]-

438.06970

194.3

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

Remimazolam

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe