CID 3053714

Brn 6008329

Structural Information

Molecular Formula
C19H23N5O2S
SMILES
CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=CC=C3OC
InChI
InChI=1S/C19H23N5O2S/c1-13-16(23-12-22-13)11-27-8-7-20-19-21-10-15(18(25)24-19)9-14-5-3-4-6-17(14)26-2/h3-6,10,12H,7-9,11H2,1-2H3,(H,22,23)(H2,20,21,24,25)
InChIKey
ZHLZQKOEXGHQDY-UHFFFAOYSA-N
Compound name
5-[(2-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

3
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 189.6
[M+Na]+ 408.14648 197.7
[M-H]- 384.14998 192.2
[M+NH4]+ 403.19108 196.8
[M+K]+ 424.12042 189.2
[M+H-H2O]+ 368.15452 179.5
[M+HCOO]- 430.15546 203.0
[M+CH3COO]- 444.17111 197.6
[M+Na-2H]- 406.13193 189.2
[M]+ 385.15671 192.2
[M]- 385.15781 192.2
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