CID 24845000

89481-19-6

Structural Information

Molecular Formula

C₁₉H₂₄N₄O₂S

SMILES

CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C(=N3)C)CCCN4CCOCC4)C

InChI

InChI=1S/C19H24N4O2S/c1-12-11-13(2)20-18-15(12)16-17(26-18)19(24)23(14(3)21-16)6-4-5-22-7-9-25-10-8-22/h11H,4-10H2,1-3H3

InChIKey

KPUAEZWXOBIHCF-UHFFFAOYSA-N

Compound name

4,11,13-trimethyl-5-(3-morpholin-4-ylpropyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 372.162 Da
Monoisotopic Mass: 2.3
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]+	373.169276	190.3
[M+Na]+	395.151218	201.6
[M-H]-	371.154724	194.8
[M+NH4]+	390.195823	201.1
[M+K]+	411.125158	195.9
[M+H-H2O]+	355.159260	181.1
[M+HCOO]-	417.160201	200.0
[M+CH3COO]-	431.175851	199.9
[M+Na-2H]-	393.136666	189.7
[M]+	372.16145142	196.0
[M]-	372.16254858	196.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.