CID 3040374

Brn 0940845

Structural Information

Molecular Formula
C22H35N3O3
SMILES
CC1CC2(C(=O)N1C(=O)N(C2=O)C3CCCCC3)CC(C)NC4CCCCC4
InChI
InChI=1S/C22H35N3O3/c1-15(23-17-9-5-3-6-10-17)13-22-14-16(2)24(19(22)26)21(28)25(20(22)27)18-11-7-4-8-12-18/h15-18,23H,3-14H2,1-2H3
InChIKey
SWAGDPFEIHRBPF-UHFFFAOYSA-N
Compound name
3-cyclohexyl-5-[2-(cyclohexylamino)propyl]-7-methyl-1,3-diazabicyclo[3.2.1]octane-2,4,8-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.26785 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.27513 197.9
[M+Na]+ 412.25707 204.1
[M+NH4]+ 407.30167 205.4
[M+K]+ 428.23101 198.3
[M-H]- 388.26057 200.2
[M+Na-2H]- 410.24252 198.4
[M]+ 389.26730 198.9
[M]- 389.26840 198.9
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

No patent data available for this compound.