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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	313.129526	172.4
[M+Na]+	335.111468	185.3
[M-H]-	311.114974	175.4
[M+NH4]+	330.156073	185.6
[M+K]+	351.085408	179.9
[M+H-H2O]+	295.119510	163.1
[M+HCOO]-	357.120451	192.4
[M+CH3COO]-	371.136101	212.1
[M+Na-2H]-	333.096916	179.1
[M]+	312.12170142	178.2
[M]-	312.12279858	178.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.