CID 453263

132687-04-8

Structural Information

Molecular Formula

C₁₅H₁₄FN₃O

SMILES

CN1C2=CC=CC=C2N(C3=C(C1=O)C=CC=N3)CCF

InChI

InChI=1S/C15H14FN3O/c1-18-12-6-2-3-7-13(12)19(10-8-16)14-11(15(18)20)5-4-9-17-14/h2-7,9H,8,10H2,1H3

InChIKey

CYQOCCBFPKGCKI-UHFFFAOYSA-N

Compound name

11-(2-fluoroethyl)-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 271.1121 Da
Monoisotopic Mass: 2.3
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]+	272.11938	158.8
[M+Na]+	294.10132	168.6
[M-H]-	270.10482	160.7
[M+NH4]+	289.14592	172.9
[M+K]+	310.07526	167.1
[M+H-H2O]+	254.10936	149.3
[M+HCOO]-	316.11030	174.7
[M+CH3COO]-	330.12595	169.6
[M+Na-2H]-	292.08677	165.3
[M]+	271.11155	156.7
[M]-	271.11265	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe