CID 332837

69310-75-4

Structural Information

Molecular Formula
C16H15N3O7
SMILES
CCOC(=O)C1CC2=C(NC(=O)NC2=O)OC1C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H15N3O7/c1-2-25-15(21)10-7-11-13(20)17-16(22)18-14(11)26-12(10)8-3-5-9(6-4-8)19(23)24/h3-6,10,12H,2,7H2,1H3,(H2,17,18,20,22)
InChIKey
FQCZDYNWLAHGCW-UHFFFAOYSA-N
Compound name
ethyl 7-(4-nitrophenyl)-2,4-dioxo-1,5,6,7-tetrahydropyrano[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.091 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09828 177.5
[M+Na]+ 384.08022 183.7
[M-H]- 360.08372 180.9
[M+NH4]+ 379.12482 184.3
[M+K]+ 400.05416 176.4
[M+H-H2O]+ 344.08826 172.4
[M+HCOO]- 406.08920 192.6
[M+CH3COO]- 420.10485 203.5
[M+Na-2H]- 382.06567 183.5
[M]+ 361.09045 175.9
[M]- 361.09155 175.9
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.