CID 364465

Nsc630726

Structural Information

Molecular Formula
C19H25N5O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C19H25N5O3/c1-22-16-15(17(26)23(2)18(22)27)24(10-20-16)9-14(25)21-19-6-11-3-12(7-19)5-13(4-11)8-19/h10-13H,3-9H2,1-2H3,(H,21,25)
InChIKey
RCWZJFMHKDADDJ-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.19574 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.20302 182.1
[M+Na]+ 394.18496 187.4
[M-H]- 370.18846 177.3
[M+NH4]+ 389.22956 198.4
[M+K]+ 410.15890 182.7
[M+H-H2O]+ 354.19300 171.5
[M+HCOO]- 416.19394 185.9
[M+CH3COO]- 430.20959 188.3
[M+Na-2H]- 392.17041 189.4
[M]+ 371.19519 186.8
[M]- 371.19629 186.8
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.