CID 3074979

169563-65-9

Structural Information

Molecular Formula
C22H32N6O4
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N(C3CCCCC3)C(=O)NC4CCCCC4
InChI
InChI=1S/C22H32N6O4/c1-25-19-18(20(30)26(2)22(25)32)27(14-23-19)13-17(29)28(16-11-7-4-8-12-16)21(31)24-15-9-5-3-6-10-15/h14-16H,3-13H2,1-2H3,(H,24,31)
InChIKey
GZSRRQJXSSXUSI-UHFFFAOYSA-N
Compound name
N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

444.2485 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.25578 202.7
[M+Na]+ 467.23772 211.2
[M+NH4]+ 462.28232 206.0
[M+K]+ 483.21166 209.4
[M-H]- 443.24122 205.1
[M+Na-2H]- 465.22317 205.8
[M]+ 444.24795 203.9
[M]- 444.24905 203.9
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