CID 172054337

Schembl31732111

Structural Information

Molecular Formula
C19H32N2O3
SMILES
CC(C)[C@H]1CO[C@@]23N1C(=O)CC[C@@H]2CN(CC3)CC4CCCCO4
InChI
InChI=1S/C19H32N2O3/c1-14(2)17-13-24-19-8-9-20(12-16-5-3-4-10-23-16)11-15(19)6-7-18(22)21(17)19/h14-17H,3-13H2,1-2H3/t15-,16?,17-,19-/m1/s1
InChIKey
OJZTYCAECKODNN-MJKQYLNTSA-N
Compound name
(3S,7aR,11aR)-9-(oxan-2-ylmethyl)-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

0
Patents

336.2413 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.24858 184.5
[M+Na]+ 359.23052 185.7
[M-H]- 335.23402 189.0
[M+NH4]+ 354.27512 197.1
[M+K]+ 375.20446 184.5
[M+H-H2O]+ 319.23856 175.1
[M+HCOO]- 381.23950 189.6
[M+CH3COO]- 395.25515 191.4
[M+Na-2H]- 357.21597 181.8
[M]+ 336.24075 176.9
[M]- 336.24185 176.9
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.