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]+ 340.10585 174.8
[M+Na]+ 362.08779 185.9
[M-H]- 338.09129 178.7
[M+NH4]+ 357.13239 186.4
[M+K]+ 378.06173 180.2
[M+H-H2O]+ 322.09583 166.4
[M+HCOO]- 384.09677 192.1
[M+CH3COO]- 398.11242 210.9
[M+Na-2H]- 360.07324 177.6
[M]+ 339.09802 181.4
[M]- 339.09912 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.