CID 135495285

9-(dimethylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3h)-one

Structural Information

Molecular Formula
C11H10N4OS
SMILES
CN(C)C1=C2C3=C(C(=O)NC=N3)SC2=NC=C1
InChI
InChI=1S/C11H10N4OS/c1-15(2)6-3-4-12-11-7(6)8-9(17-11)10(16)14-5-13-8/h3-5H,1-2H3,(H,13,14,16)
InChIKey
ZKEYHEBYOUWRQZ-UHFFFAOYSA-N
Compound name
13-(dimethylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

246.05753 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.06481 150.1
[M+Na]+ 269.04675 163.0
[M-H]- 245.05025 153.3
[M+NH4]+ 264.09135 168.5
[M+K]+ 285.02069 158.2
[M+H-H2O]+ 229.05479 143.2
[M+HCOO]- 291.05573 167.5
[M+CH3COO]- 305.07138 163.4
[M+Na-2H]- 267.03220 156.3
[M]+ 246.05698 155.4
[M]- 246.05808 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe