CID 453256

132686-78-3

Structural Information

Molecular Formula

C₁₆H₁₇N₃O

SMILES

CC(C)N1C2=CC=CC=C2N(C(=O)C3=C1N=CC=C3)C

InChI

InChI=1S/C16H17N3O/c1-11(2)19-14-9-5-4-8-13(14)18(3)16(20)12-7-6-10-17-15(12)19/h4-11H,1-3H3

InChIKey

LYAZZAPFCMSYCJ-UHFFFAOYSA-N

Compound name

6-methyl-11-propan-2-ylpyrido[3,2-c][1,5]benzodiazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 267.13718 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]+	268.14446	160.8
[M+Na]+	290.12640	170.0
[M-H]-	266.12990	164.0
[M+NH4]+	285.17100	175.2
[M+K]+	306.10034	169.2
[M+H-H2O]+	250.13444	152.3
[M+HCOO]-	312.13538	176.5
[M+CH3COO]-	326.15103	171.8
[M+Na-2H]-	288.11185	166.4
[M]+	267.13663	159.5
[M]-	267.13773	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe