CID 67391988

Schembl2397891

Structural Information

Molecular Formula
C18H28N2O6
SMILES
CC(C)C[C@@H](C(=O)OC)N1C[C@H]2O[C@@H](C1=O)[C@H](O2)C(=O)N3CCCCC3
InChI
InChI=1S/C18H28N2O6/c1-11(2)9-12(18(23)24-3)20-10-13-25-14(15(26-13)17(20)22)16(21)19-7-5-4-6-8-19/h11-15H,4-10H2,1-3H3/t12-,13+,14-,15+/m0/s1
InChIKey
MNTZQPYJSPFTGX-LJISPDSOSA-N
Compound name
methyl (2S)-4-methyl-2-[(1R,5R,7S)-2-oxo-7-(piperidine-1-carbonyl)-6,8-dioxa-3-azabicyclo[3.2.1]octan-3-yl]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

368.19473 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20201 187.5
[M+Na]+ 391.18395 189.0
[M-H]- 367.18745 190.1
[M+NH4]+ 386.22855 196.9
[M+K]+ 407.15789 190.3
[M+H-H2O]+ 351.19199 180.1
[M+HCOO]- 413.19293 193.8
[M+CH3COO]- 427.20858 217.6
[M+Na-2H]- 389.16940 183.3
[M]+ 368.19418 186.9
[M]- 368.19528 186.9
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.