CID 129904037

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

Structural Information

Molecular Formula
C17H26N2O7
SMILES
CC(C)C[C@@H](C(=O)OC)N1C[C@@H]2O[C@H](C1=O)[C@@H](O2)C(=O)N3CCOCC3
InChI
InChI=1S/C17H26N2O7/c1-10(2)8-11(17(22)23-3)19-9-12-25-13(14(26-12)16(19)21)15(20)18-4-6-24-7-5-18/h10-14H,4-9H2,1-3H3/t11-,12-,13+,14-/m0/s1
InChIKey
ROYABBZABQZORC-FQUUOJAGSA-N
Compound name
methyl (2S)-4-methyl-2-[(1S,5S,7R)-7-(morpholine-4-carbonyl)-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octan-3-yl]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.174 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18128 186.5
[M+Na]+ 393.16322 188.4
[M-H]- 369.16672 190.0
[M+NH4]+ 388.20782 194.4
[M+K]+ 409.13716 191.3
[M+H-H2O]+ 353.17126 179.4
[M+HCOO]- 415.17220 192.4
[M+CH3COO]- 429.18785 217.6
[M+Na-2H]- 391.14867 183.5
[M]+ 370.17345 187.6
[M]- 370.17455 187.6
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.