CID 3078520

Brn 3567509

Structural Information

Molecular Formula
C15H18ClN3O4
SMILES
CN1C(=O)C=C(N(C1=O)CC2=CC(=C(C=C2)OC)Cl)NCCO
InChI
InChI=1S/C15H18ClN3O4/c1-18-14(21)8-13(17-5-6-20)19(15(18)22)9-10-3-4-12(23-2)11(16)7-10/h3-4,7-8,17,20H,5-6,9H2,1-2H3
InChIKey
DISKRQUWGWJSOU-UHFFFAOYSA-N
Compound name
1-[(3-chloro-4-methoxyphenyl)methyl]-6-(2-hydroxyethylamino)-3-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.09857 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.105846 174.8
[M+Na]+ 362.087788 185.9
[M-H]- 338.091294 178.7
[M+NH4]+ 357.132393 186.4
[M+K]+ 378.061728 180.2
[M+H-H2O]+ 322.095830 166.4
[M+HCOO]- 384.096771 192.1
[M+CH3COO]- 398.112421 210.9
[M+Na-2H]- 360.073236 177.6
[M]+ 339.09802142 181.4
[M]- 339.09911858 181.4
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.