CID 172054477

Schembl30705145

Structural Information

Molecular Formula
C17H28N2O2
SMILES
CC(C)[C@H]1CO[C@@]23N1C(=O)CC[C@@H]2CN(CC3)C4CCC4
InChI
InChI=1S/C17H28N2O2/c1-12(2)15-11-21-17-8-9-18(14-4-3-5-14)10-13(17)6-7-16(20)19(15)17/h12-15H,3-11H2,1-2H3/t13-,15-,17-/m1/s1
InChIKey
SSLDIUJWHDUGPB-FRFSOERESA-N
Compound name
(3S,7aR,11aR)-9-cyclobutyl-3-propan-2-yl-2,3,6,7,7a,8,10,11-octahydro-[1,3]oxazolo[2,3-j][1,6]naphthyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

292.2151 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.22238 168.5
[M+Na]+ 315.20432 170.5
[M-H]- 291.20782 173.2
[M+NH4]+ 310.24892 178.4
[M+K]+ 331.17826 171.5
[M+H-H2O]+ 275.21236 155.7
[M+HCOO]- 337.21330 176.7
[M+CH3COO]- 351.22895 206.2
[M+Na-2H]- 313.18977 167.0
[M]+ 292.21455 171.0
[M]- 292.21565 171.0
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