CID 128390

Aa 2379

Structural Information

Molecular Formula
C15H23N5O4
SMILES
CCCCN1C2=NN(C(=C2C(=O)N(C1=O)CCC)NC)C(=O)OC
InChI
InChI=1S/C15H23N5O4/c1-5-7-9-18-12-10(13(21)19(8-6-2)14(18)22)11(16-3)20(17-12)15(23)24-4/h16H,5-9H2,1-4H3
InChIKey
AKJPAUXGPOUISG-UHFFFAOYSA-N
Compound name
methyl 7-butyl-3-(methylamino)-4,6-dioxo-5-propylpyrazolo[3,4-d]pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

0
Patents

337.17502 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18230 179.3
[M+Na]+ 360.16424 191.0
[M-H]- 336.16774 180.2
[M+NH4]+ 355.20884 191.3
[M+K]+ 376.13818 187.1
[M+H-H2O]+ 320.17228 170.5
[M+HCOO]- 382.17322 199.7
[M+CH3COO]- 396.18887 215.4
[M+Na-2H]- 358.14969 180.9
[M]+ 337.17447 188.6
[M]- 337.17557 188.6
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

patents stripe