CID 3053104

69549-19-5

Structural Information

Molecular Formula

C₂₀H₂₀N₄O₂

SMILES

CN1C2=C(N=CC=C2)N(C3=CC=CC=C3C1=O)C(=O)CN4CCC=CC4

InChI

InChI=1S/C20H20N4O2/c1-22-17-10-7-11-21-19(17)24(16-9-4-3-8-15(16)20(22)26)18(25)14-23-12-5-2-6-13-23/h2-5,7-11H,6,12-14H2,1H3

InChIKey

NVLHONFAIIXLPC-UHFFFAOYSA-N

Compound name

11-[2-(3,6-dihydro-2H-pyridin-1-yl)acetyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 348.15863 Da
Monoisotopic Mass: 2.0
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]+	349.165906	185.2
[M+Na]+	371.147848	192.2
[M-H]-	347.151354	189.0
[M+NH4]+	366.192453	194.0
[M+K]+	387.121788	190.0
[M+H-H2O]+	331.155890	173.4
[M+HCOO]-	393.156831	196.8
[M+CH3COO]-	407.172481	193.1
[M+Na-2H]-	369.133296	188.6
[M]+	348.15808142	180.8
[M]-	348.15917858	180.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe