CID 172054490

(4r,8ar,12ar)-10-benzyl-4-isopropyl-3,4,7,8,8a,9,11,12-octahydro-2h-[1,3]oxazino[2,3-j][1,6]naphthyridin-6-one

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CC(C)[C@H]1CCO[C@@]23N1C(=O)CC[C@@H]2CN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C21H30N2O2/c1-16(2)19-10-13-25-21-11-12-22(14-17-6-4-3-5-7-17)15-18(21)8-9-20(24)23(19)21/h3-7,16,18-19H,8-15H2,1-2H3/t18-,19-,21-/m1/s1
InChIKey
IAEXLZCIIPVFAP-SFHLNBCPSA-N
Compound name
(4R,8aR,12aR)-10-benzyl-4-propan-2-yl-3,4,7,8,8a,9,11,12-octahydro-2H-[1,3]oxazino[2,3-j][1,6]naphthyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.23074 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.23802 186.8
[M+Na]+ 365.21996 189.1
[M-H]- 341.22346 191.0
[M+NH4]+ 360.26456 198.6
[M+K]+ 381.19390 185.6
[M+H-H2O]+ 325.22800 175.3
[M+HCOO]- 387.22894 194.0
[M+CH3COO]- 401.24459 193.6
[M+Na-2H]- 363.20541 187.2
[M]+ 342.23019 179.7
[M]- 342.23129 179.7
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.