CID 3041742

11-(3-diethylaminopropyl)-6,11-dihydro-6-methyl-5h-pyrido(2,3-b)(1,5)benzodiazepin-5-one hcl

Structural Information

Molecular Formula

C₂₀H₂₆N₄O

SMILES

CCN(CC)CCCN1C2=CC=CC=C2N(C(=O)C3=C1N=CC=C3)C

InChI

InChI=1S/C20H26N4O/c1-4-23(5-2)14-9-15-24-18-12-7-6-11-17(18)22(3)20(25)16-10-8-13-21-19(16)24/h6-8,10-13H,4-5,9,14-15H2,1-3H3

InChIKey

WFSHZGWLACIEOH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 338.21066 Da
Monoisotopic Mass: 3.1
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]+	339.217936	183.0
[M+Na]+	361.199878	189.9
[M-H]-	337.203384	186.6
[M+NH4]+	356.244483	194.8
[M+K]+	377.173818	189.3
[M+H-H2O]+	321.207920	172.7
[M+HCOO]-	383.208861	199.6
[M+CH3COO]-	397.224511	221.2
[M+Na-2H]-	359.185326	187.3
[M]+	338.21011142	183.9
[M]-	338.21120858	183.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe