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 204.9
[M+Na]+ 467.23772 208.0
[M-H]- 443.24122 210.8
[M+NH4]+ 462.28232 210.6
[M+K]+ 483.21166 204.3
[M+H-H2O]+ 427.24576 192.9
[M+HCOO]- 489.24670 217.7
[M+CH3COO]- 503.26235 237.3
[M+Na-2H]- 465.22317 202.0
[M]+ 444.24795 201.9
[M]- 444.24905 201.9
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