CID 24845004

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

Structural Information

Molecular Formula
C19H18N4OS
SMILES
CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C(=N3)C)CCC4=CC=NC=C4)C
InChI
InChI=1S/C19H18N4OS/c1-11-10-12(2)21-18-15(11)16-17(25-18)19(24)23(13(3)22-16)9-6-14-4-7-20-8-5-14/h4-5,7-8,10H,6,9H2,1-3H3
InChIKey
QYBKSLSFWWWIJZ-UHFFFAOYSA-N
Compound name
4,11,13-trimethyl-5-(2-pyridin-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

350.12012 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12740 183.8
[M+Na]+ 373.10934 202.1
[M+NH4]+ 368.15394 192.1
[M+K]+ 389.08328 192.5
[M-H]- 349.11284 188.0
[M+Na-2H]- 371.09479 191.2
[M]+ 350.11957 188.4
[M]- 350.12067 188.4
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.