CID 129903917

(2r)-4-methyl-2-[(1s,5s,6r)-4-oxo-6-(piperidine-1-carbonyl)-7,8-dioxa-3-azabicyclo[3.2.1]octan-3-yl]pentanoic acid

Structural Information

Molecular Formula
C17H26N2O6
SMILES
CC(C)C[C@H](C(=O)O)N1C[C@@H]2O[C@H](C1=O)[C@@H](O2)C(=O)N3CCCCC3
InChI
InChI=1S/C17H26N2O6/c1-10(2)8-11(17(22)23)19-9-12-24-13(14(25-12)16(19)21)15(20)18-6-4-3-5-7-18/h10-14H,3-9H2,1-2H3,(H,22,23)/t11-,12+,13-,14+/m1/s1
InChIKey
ZUAFSVKYYOXGST-RQJABVFESA-N
Compound name
(2R)-4-methyl-2-[(1S,5S,7R)-2-oxo-7-(piperidine-1-carbonyl)-6,8-dioxa-3-azabicyclo[3.2.1]octan-3-yl]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.17908 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.18636 183.3
[M+Na]+ 377.16830 184.7
[M-H]- 353.17180 184.7
[M+NH4]+ 372.21290 192.5
[M+K]+ 393.14224 185.4
[M+H-H2O]+ 337.17634 176.2
[M+HCOO]- 399.17728 188.4
[M+CH3COO]- 413.19293 213.2
[M+Na-2H]- 375.15375 179.2
[M]+ 354.17853 180.6
[M]- 354.17963 180.6
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.