CID 3151396

2-imino-1-(2-methoxyethyl)-n-methyl-5-oxo-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

Structural Information

Molecular Formula
C16H17N5O3
SMILES
CNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CCOC
InChI
InChI=1S/C16H17N5O3/c1-18-15(22)10-9-11-14(21(13(10)17)7-8-24-2)19-12-5-3-4-6-20(12)16(11)23/h3-6,9,17H,7-8H2,1-2H3,(H,18,22)
InChIKey
HPFZUQKPBIVBTL-UHFFFAOYSA-N
Compound name
6-imino-7-(2-methoxyethyl)-N-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

327.13315 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14043 175.1
[M+Na]+ 350.12237 186.2
[M-H]- 326.12587 177.8
[M+NH4]+ 345.16697 187.1
[M+K]+ 366.09631 180.9
[M+H-H2O]+ 310.13041 165.3
[M+HCOO]- 372.13135 196.2
[M+CH3COO]- 386.14700 216.1
[M+Na-2H]- 348.10782 183.4
[M]+ 327.13260 179.9
[M]- 327.13370 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.