CID 2441

Bromazepam

Structural Information

Molecular Formula

C₁₄H₁₀BrN₃O

SMILES

C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3

InChI

InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)

InChIKey

VMIYHDSEFNYJSL-UHFFFAOYSA-N

Compound name

7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 503
References: 12427
Patents: 315.00073 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

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]+	316.008006	159.5
[M+Na]+	337.989948	170.5
[M-H]-	313.993454	165.7
[M+NH4]+	333.034553	173.5
[M+K]+	353.963888	162.0
[M+H-H2O]+	297.997990	157.3
[M+HCOO]-	359.998931	174.8
[M+CH3COO]-	374.014581	171.7
[M+Na-2H]-	335.975396	167.6
[M]+	315.00018142	172.7
[M]-	315.00127858	172.7

Literature stripe

literature stripe

Patent stripe

patents stripe