CID 706418

Methyl 1-ethyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

Structural Information

Molecular Formula
C16H16N4O3
SMILES
CCN1C2=C(C=C(C1=N)C(=O)OC)C(=O)N3C=CC=C(C3=N2)C
InChI
InChI=1S/C16H16N4O3/c1-4-19-12(17)10(16(22)23-3)8-11-14(19)18-13-9(2)6-5-7-20(13)15(11)21/h5-8,17H,4H2,1-3H3
InChIKey
DELUGDBXSGMAIJ-UHFFFAOYSA-N
Compound name
methyl 7-ethyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.12225 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12953 172.4
[M+Na]+ 335.11147 185.3
[M-H]- 311.11497 175.4
[M+NH4]+ 330.15607 185.6
[M+K]+ 351.08541 179.9
[M+H-H2O]+ 295.11951 163.1
[M+HCOO]- 357.12045 192.4
[M+CH3COO]- 371.13610 212.1
[M+Na-2H]- 333.09692 179.1
[M]+ 312.12170 178.2
[M]- 312.12280 178.2
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.