CID 5276657

Chembl364887

Structural Information

Molecular Formula
C15H17N3O3
SMILES
CC1=CN(C(=O)NC1=O)CC2=CC=C(C=C2)CCC(=O)N
InChI
InChI=1S/C15H17N3O3/c1-10-8-18(15(21)17-14(10)20)9-12-4-2-11(3-5-12)6-7-13(16)19/h2-5,8H,6-7,9H2,1H3,(H2,16,19)(H,17,20,21)
InChIKey
CLLRGSOMTDEQRP-UHFFFAOYSA-N
Compound name
3-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

287.12698 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.134256 165.8
[M+Na]+ 310.116198 174.7
[M-H]- 286.119704 168.8
[M+NH4]+ 305.160803 177.7
[M+K]+ 326.090138 169.3
[M+H-H2O]+ 270.124240 156.9
[M+HCOO]- 332.125181 186.2
[M+CH3COO]- 346.140831 202.0
[M+Na-2H]- 308.101646 168.2
[M]+ 287.12643142 165.8
[M]- 287.12752858 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe