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 197.0
[M+Na]+ 412.25707 197.6
[M-H]- 388.26057 200.4
[M+NH4]+ 407.30167 209.7
[M+K]+ 428.23101 193.1
[M+H-H2O]+ 372.26511 187.5
[M+HCOO]- 434.26605 203.9
[M+CH3COO]- 448.28170 225.1
[M+Na-2H]- 410.24252 191.7
[M]+ 389.26730 187.4
[M]- 389.26840 187.4
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.