CID 3047305

4(1h)-pyrimidinone, 5-((4-methoxyphenyl)methyl)-2-((2-(((5-methyl-1h-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride

Structural Information

Molecular Formula
C19H23N5O2S
SMILES
CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C19H23N5O2S/c1-13-17(23-12-22-13)11-27-8-7-20-19-21-10-15(18(25)24-19)9-14-3-5-16(26-2)6-4-14/h3-6,10,12H,7-9,11H2,1-2H3,(H,22,23)(H2,20,21,24,25)
InChIKey
UZTPZQXBCNKILU-UHFFFAOYSA-N
Compound name
5-[(4-methoxyphenyl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

385.15726 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.16454 191.6
[M+Na]+ 408.14648 204.2
[M+NH4]+ 403.19108 196.5
[M+K]+ 424.12042 197.1
[M-H]- 384.14998 194.6
[M+Na-2H]- 406.13193 198.2
[M]+ 385.15671 194.4
[M]- 385.15781 194.4
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

patents stripe