CID 367821

Nsc637896

Structural Information

Molecular Formula
C16H20N4O4
SMILES
CCN(CC)C1=C(C(=O)N=C2N1C=CC=C2)NC(=O)C(=O)OCC
InChI
InChI=1S/C16H20N4O4/c1-4-19(5-2)15-12(18-14(22)16(23)24-6-3)13(21)17-11-9-7-8-10-20(11)15/h7-10H,4-6H2,1-3H3,(H,18,22)
InChIKey
SWWFTSDOYPNSMX-UHFFFAOYSA-N
Compound name
ethyl 2-[[4-(diethylamino)-2-oxopyrido[1,2-a]pyrimidin-3-yl]amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.14847 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.15575 176.4
[M+Na]+ 355.13769 183.3
[M-H]- 331.14119 179.7
[M+NH4]+ 350.18229 188.7
[M+K]+ 371.11163 181.7
[M+H-H2O]+ 315.14573 167.0
[M+HCOO]- 377.14667 197.7
[M+CH3COO]- 391.16232 218.0
[M+Na-2H]- 353.12314 180.2
[M]+ 332.14792 181.6
[M]- 332.14902 181.6
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.