CID 395837

Nsc700840

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CC1=CN(C(=O)NC1=O)C(CC2=CC=CC=C2)OCCO
InChI
InChI=1S/C15H18N2O4/c1-11-10-17(15(20)16-14(11)19)13(21-8-7-18)9-12-5-3-2-4-6-12/h2-6,10,13,18H,7-9H2,1H3,(H,16,19,20)
InChIKey
PILRPCHPBWYLFZ-UHFFFAOYSA-N
Compound name
1-[1-(2-hydroxyethoxy)-2-phenylethyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.12665 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 165.3
[M+Na]+ 313.11587 173.1
[M-H]- 289.11937 166.9
[M+NH4]+ 308.16047 176.6
[M+K]+ 329.08981 168.5
[M+H-H2O]+ 273.12391 156.3
[M+HCOO]- 335.12485 183.7
[M+CH3COO]- 349.14050 196.7
[M+Na-2H]- 311.10132 168.6
[M]+ 290.12610 166.8
[M]- 290.12720 166.8
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.