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]+ 327.14516 176.3
[M+Na]+ 349.12710 187.8
[M-H]- 325.13060 178.8
[M+NH4]+ 344.17170 188.7
[M+K]+ 365.10104 182.2
[M+H-H2O]+ 309.13514 166.5
[M+HCOO]- 371.13608 196.0
[M+CH3COO]- 385.15173 213.7
[M+Na-2H]- 347.11255 183.3
[M]+ 326.13733 182.0
[M]- 326.13843 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.