CID 172054235

Schembl31731794

Structural Information

Molecular Formula
C18H30N2O3
SMILES
CC(C)[C@H]1CO[C@@]23N1C(=O)CC[C@@H]2CN(CC3)CC4CCCO4
InChI
InChI=1S/C18H30N2O3/c1-13(2)16-12-23-18-7-8-19(11-15-4-3-9-22-15)10-14(18)5-6-17(21)20(16)18/h13-16H,3-12H2,1-2H3/t14-,15?,16-,18-/m1/s1
InChIKey
HDIQSUJBZAUHES-ZXWBDNALSA-N
Compound name
(3S,7aR,11aR)-9-(oxolan-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

322.22565 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.23293 179.7
[M+Na]+ 345.21487 182.2
[M-H]- 321.21837 185.1
[M+NH4]+ 340.25947 194.9
[M+K]+ 361.18881 181.2
[M+H-H2O]+ 305.22291 172.1
[M+HCOO]- 367.22385 187.5
[M+CH3COO]- 381.23950 187.9
[M+Na-2H]- 343.20032 175.9
[M]+ 322.22510 174.2
[M]- 322.22620 174.2
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

No patent data available for this compound.