CID 172054387

Schembl30705099

Structural Information

Molecular Formula
C19H32N2O2
SMILES
CC(C)[C@H]1CO[C@@]23N1C(=O)CC[C@@H]2CN(CC3)C4CCCCC4
InChI
InChI=1S/C19H32N2O2/c1-14(2)17-13-23-19-10-11-20(16-6-4-3-5-7-16)12-15(19)8-9-18(22)21(17)19/h14-17H,3-13H2,1-2H3/t15-,17-,19-/m1/s1
InChIKey
NRUXIOHRCYMHRS-SZVBFZGTSA-N
Compound name
(3S,7aR,11aR)-9-cyclohexyl-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

320.24637 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.25365 181.9
[M+Na]+ 343.23559 183.0
[M-H]- 319.23909 185.9
[M+NH4]+ 338.28019 196.6
[M+K]+ 359.20953 180.3
[M+H-H2O]+ 303.24363 172.3
[M+HCOO]- 365.24457 187.8
[M+CH3COO]- 379.26022 188.8
[M+Na-2H]- 341.22104 178.5
[M]+ 320.24582 172.2
[M]- 320.24692 172.2
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