CID 56950369

Sch-900271

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CC1(CC1)CCCC2=CC(=O)OC3=C2C(=O)NC(=O)N3
InChI
InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)
InChIKey
ARJKMWXLIHZLQZ-UHFFFAOYSA-N
Compound name
5-[3-(1-methylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

21
Patents

276.111 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.118276 167.3
[M+Na]+ 299.100218 180.0
[M-H]- 275.103724 171.9
[M+NH4]+ 294.144823 176.9
[M+K]+ 315.074158 174.8
[M+H-H2O]+ 259.108260 159.9
[M+HCOO]- 321.109201 184.5
[M+CH3COO]- 335.124851 196.3
[M+Na-2H]- 297.085666 173.5
[M]+ 276.11045142 172.4
[M]- 276.11154858 172.4
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