CID 3747198

2-imino-1-(3-methoxypropyl)-10-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5h-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one

Structural Information

Molecular Formula
C23H24N4O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)CCCOC
InChI
InChI=1S/C23H24N4O4S/c1-15-7-9-17(10-8-15)32(29,30)19-14-18-22(26(20(19)24)12-5-13-31-3)25-21-16(2)6-4-11-27(21)23(18)28/h4,6-11,14,24H,5,12-13H2,1-3H3
InChIKey
YQEQJNBUEJRPTP-UHFFFAOYSA-N
Compound name
6-imino-7-(3-methoxypropyl)-11-methyl-5-(4-methylphenyl)sulfonyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

452.15182 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.15910 208.8
[M+Na]+ 475.14104 225.3
[M+NH4]+ 470.18564 214.0
[M+K]+ 491.11498 215.5
[M-H]- 451.14454 212.0
[M+Na-2H]- 473.12649 215.6
[M]+ 452.15127 212.7
[M]- 452.15237 212.7
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

No patent data available for this compound.