CID 706443

Ethyl 2-imino-5-oxo-1-propyl-1,5-dihydro-2h-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate

Structural Information

Molecular Formula
C17H18N4O3
SMILES
CCCN1C2=C(C=C(C1=N)C(=O)OCC)C(=O)N3C=CC=CC3=N2
InChI
InChI=1S/C17H18N4O3/c1-3-8-21-14(18)11(17(23)24-4-2)10-12-15(21)19-13-7-5-6-9-20(13)16(12)22/h5-7,9-10,18H,3-4,8H2,1-2H3
InChIKey
KLRQXXLRQTYQQA-UHFFFAOYSA-N
Compound name
ethyl 6-imino-2-oxo-7-propyl-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

326.13788 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.145156 176.3
[M+Na]+ 349.127098 187.8
[M-H]- 325.130604 178.8
[M+NH4]+ 344.171703 188.7
[M+K]+ 365.101038 182.2
[M+H-H2O]+ 309.135140 166.5
[M+HCOO]- 371.136081 196.0
[M+CH3COO]- 385.151731 213.7
[M+Na-2H]- 347.112546 183.3
[M]+ 326.13733142 182.0
[M]- 326.13842858 182.0
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.