CID 1077318

Methyl 1-(2-furylmethyl)-2-imino-5-oxo-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

Structural Information

Molecular Formula
C18H14N4O4
SMILES
COC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC4=CC=CO4
InChI
InChI=1S/C18H14N4O4/c1-25-18(24)12-9-13-16(20-14-6-2-3-7-21(14)17(13)23)22(15(12)19)10-11-5-4-8-26-11/h2-9,19H,10H2,1H3
InChIKey
VRDGIPMXAILUAM-UHFFFAOYSA-N
Compound name
methyl 7-(furan-2-ylmethyl)-6-imino-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

350.1015 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.10878 179.9
[M+Na]+ 373.09072 192.0
[M-H]- 349.09422 186.9
[M+NH4]+ 368.13532 191.1
[M+K]+ 389.06466 187.4
[M+H-H2O]+ 333.09876 169.9
[M+HCOO]- 395.09970 200.6
[M+CH3COO]- 409.11535 191.5
[M+Na-2H]- 371.07617 186.1
[M]+ 350.10095 186.2
[M]- 350.10205 186.2
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.