CID 453274

133626-68-3

Structural Information

Molecular Formula

C₁₆H₁₇N₃O

SMILES

CCN1C2=C(C=C(C=C2)C)N(C(=O)C3=C1N=CC=C3)C

InChI

InChI=1S/C16H17N3O/c1-4-19-13-8-7-11(2)10-14(13)18(3)16(20)12-6-5-9-17-15(12)19/h5-10H,4H2,1-3H3

InChIKey

FIGRBQAMMXFIMA-UHFFFAOYSA-N

Compound name

11-ethyl-6,8-dimethylpyrido[3,2-c][1,5]benzodiazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 267.13718 Da
Monoisotopic Mass: 2.7
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]+	268.144456	162.1
[M+Na]+	290.126398	172.3
[M-H]-	266.129904	165.5
[M+NH4]+	285.171003	176.7
[M+K]+	306.100338	171.1
[M+H-H2O]+	250.134440	153.5
[M+HCOO]-	312.135381	178.6
[M+CH3COO]-	326.151031	173.3
[M+Na-2H]-	288.111846	167.8
[M]+	267.13663142	161.7
[M]-	267.13772858	161.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.