CID 24844998

Pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3h)-one, 3-(2-(4-morpholinyl)ethyl)-2,7,9-trimethyl-

Structural Information

Molecular Formula
C18H22N4O2S
SMILES
CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C(=N3)C)CCN4CCOCC4)C
InChI
InChI=1S/C18H22N4O2S/c1-11-10-12(2)19-17-14(11)15-16(25-17)18(23)22(13(3)20-15)5-4-21-6-8-24-9-7-21/h10H,4-9H2,1-3H3
InChIKey
RIAJWCOGAALQLH-UHFFFAOYSA-N
Compound name
4,11,13-trimethyl-5-(2-morpholin-4-ylethyl)-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

358.14636 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15364 186.0
[M+Na]+ 381.13558 197.8
[M-H]- 357.13908 190.7
[M+NH4]+ 376.18018 197.4
[M+K]+ 397.10952 192.3
[M+H-H2O]+ 341.14362 177.0
[M+HCOO]- 403.14456 196.1
[M+CH3COO]- 417.16021 196.1
[M+Na-2H]- 379.12103 185.9
[M]+ 358.14581 191.4
[M]- 358.14691 191.4
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.