CID 172054506

(3s,7ar,11ar)-3-isopropyl-9-[[4-(1-piperidyl)phenyl]methyl]-2,3,6,7,7a,8,10,11-octahydrooxazolo[2,3-j][1,6]naphthyridin-5-one

Structural Information

Molecular Formula
C25H37N3O2
SMILES
CC(C)[C@H]1CO[C@@]23N1C(=O)CC[C@@H]2CN(CC3)CC4=CC=C(C=C4)N5CCCCC5
InChI
InChI=1S/C25H37N3O2/c1-19(2)23-18-30-25-12-15-26(17-21(25)8-11-24(29)28(23)25)16-20-6-9-22(10-7-20)27-13-4-3-5-14-27/h6-7,9-10,19,21,23H,3-5,8,11-18H2,1-2H3/t21-,23-,25-/m1/s1
InChIKey
LPZXNOPJBPLKRE-GZGNHOFSSA-N
Compound name
(3S,7aR,11aR)-9-[(4-piperidin-1-ylphenyl)methyl]-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

411.28857 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.29585 205.9
[M+Na]+ 434.27779 206.4
[M-H]- 410.28129 211.2
[M+NH4]+ 429.32239 214.8
[M+K]+ 450.25173 201.8
[M+H-H2O]+ 394.28583 192.9
[M+HCOO]- 456.28677 209.5
[M+CH3COO]- 470.30242 210.5
[M+Na-2H]- 432.26324 200.2
[M]+ 411.28802 196.3
[M]- 411.28912 196.3
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.