CID 453264

132687-05-9

Structural Information

Molecular Formula

C₁₅H₁₄FN₃O

SMILES

CCN1C2=CC=CC=C2N(C(=O)C3=C1N=CC=C3)CF

InChI

InChI=1S/C15H14FN3O/c1-2-18-12-7-3-4-8-13(12)19(10-16)15(20)11-6-5-9-17-14(11)18/h3-9H,2,10H2,1H3

InChIKey

VROVGMGODBOTLK-UHFFFAOYSA-N

Compound name

11-ethyl-6-(fluoromethyl)pyrido[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: 2.8
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