CID 24844996

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

Structural Information

Molecular Formula
C19H17N3O2S
SMILES
CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C(=N3)C)C4=CC=C(C=C4)OC)C
InChI
InChI=1S/C19H17N3O2S/c1-10-9-11(2)20-18-15(10)16-17(25-18)19(23)22(12(3)21-16)13-5-7-14(24-4)8-6-13/h5-9H,1-4H3
InChIKey
GKFPHGGRBUMVLF-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-4,11,13-trimethyl-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

351.10416 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11144 183.6
[M+Na]+ 374.09338 198.5
[M-H]- 350.09688 190.5
[M+NH4]+ 369.13798 198.4
[M+K]+ 390.06732 191.5
[M+H-H2O]+ 334.10142 175.3
[M+HCOO]- 396.10236 199.6
[M+CH3COO]- 410.11801 195.8
[M+Na-2H]- 372.07883 185.2
[M]+ 351.10361 193.0
[M]- 351.10471 193.0
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.