CID 467434

N-(11-ethyl-5-oxo-6-propyl-pyridazino[4,3-c][1,5]benzodiazepin-8-yl)acetamide

Structural Information

Molecular Formula

C₁₈H₂₁N₅O₂

SMILES

CCCN1C2=C(C=CC(=C2)NC(=O)C)N(C3=C(C1=O)C=CN=N3)CC

InChI

InChI=1S/C18H21N5O2/c1-4-10-23-16-11-13(20-12(3)24)6-7-15(16)22(5-2)17-14(18(23)25)8-9-19-21-17/h6-9,11H,4-5,10H2,1-3H3,(H,20,24)

InChIKey

SBOCUOGYTZBMEX-UHFFFAOYSA-N

Compound name

N-(11-ethyl-5-oxo-6-propylpyridazino[4,3-c][1,5]benzodiazepin-8-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 339.16953 Da
Monoisotopic Mass: 1.4
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]+	340.176806	182.9
[M+Na]+	362.158748	191.6
[M-H]-	338.162254	184.9
[M+NH4]+	357.203353	193.0
[M+K]+	378.132688	190.8
[M+H-H2O]+	322.166790	172.2
[M+HCOO]-	384.167731	197.9
[M+CH3COO]-	398.183381	218.0
[M+Na-2H]-	360.144196	187.2
[M]+	339.16898142	183.1
[M]-	339.17007858	183.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.