CID 376602

Nsc657613

Structural Information

Molecular Formula
C15H15N3O3
SMILES
C=CCOCN1C=CC(=NC1=O)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H15N3O3/c1-2-10-21-11-18-9-8-13(17-15(18)20)16-14(19)12-6-4-3-5-7-12/h2-9H,1,10-11H2,(H,16,17,19,20)
InChIKey
KPFIMWWLQUXENC-UHFFFAOYSA-N
Compound name
N-[2-oxo-1-(prop-2-enoxymethyl)pyrimidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11133 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 164.2
[M+Na]+ 308.10055 171.7
[M-H]- 284.10405 168.2
[M+NH4]+ 303.14515 176.5
[M+K]+ 324.07449 167.4
[M+H-H2O]+ 268.10859 154.4
[M+HCOO]- 330.10953 186.8
[M+CH3COO]- 344.12518 201.7
[M+Na-2H]- 306.08600 169.7
[M]+ 285.11078 166.1
[M]- 285.11188 166.1
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.