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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16928 190.1
[M+Na]+ 395.15122 205.5
[M+NH4]+ 390.19582 197.4
[M+K]+ 411.12516 197.4
[M-H]- 371.15472 194.4
[M+Na-2H]- 393.13667 193.8
[M]+ 372.16145 194.1
[M]- 372.16255 194.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.