CID 135484546

Ait-034

Structural Information

Molecular Formula
C15H20N6O3
SMILES
C1CC(=O)N(C1)CCCNC(=O)CCN2C=NC3=C2N=CNC3=O
InChI
InChI=1S/C15H20N6O3/c22-11(16-5-2-7-20-6-1-3-12(20)23)4-8-21-10-19-13-14(21)17-9-18-15(13)24/h9-10H,1-8H2,(H,16,22)(H,17,18,24)
InChIKey
FBVDVFULNXWYRF-UHFFFAOYSA-N
Compound name
3-(6-oxo-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

71
Patents

332.1597 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.16698 176.0
[M+Na]+ 355.14892 183.6
[M-H]- 331.15242 176.6
[M+NH4]+ 350.19352 186.4
[M+K]+ 371.12286 178.6
[M+H-H2O]+ 315.15696 165.8
[M+HCOO]- 377.15790 192.9
[M+CH3COO]- 391.17355 207.3
[M+Na-2H]- 353.13437 176.9
[M]+ 332.15915 177.1
[M]- 332.16025 177.1
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

patents stripe