CID 170439647

Schembl26934051

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CC(C)[C@H]1CO[C@@]23N1C(=O)CC[C@@H]2CN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C19H26N2O2/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/h3-7,14-15,17H,8-13H2,1-2H3/t15-,17-,19-/m1/s1
InChIKey
ZOIQHZGJIJKKKN-SZVBFZGTSA-N
Compound name
(3S,7aR,11aR)-9-phenyl-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

1
Patents

314.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 177.4
[M+Na]+ 337.18865 181.6
[M-H]- 313.19215 182.7
[M+NH4]+ 332.23325 192.6
[M+K]+ 353.16259 178.4
[M+H-H2O]+ 297.19669 167.7
[M+HCOO]- 359.19763 187.8
[M+CH3COO]- 373.21328 186.1
[M+Na-2H]- 335.17410 177.1
[M]+ 314.19888 172.1
[M]- 314.19998 172.1
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