CID 129904096

(1s,5s,6r)-3-benzyl-n-hexyl-4-oxo-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxamide

Structural Information

Molecular Formula
C19H26N2O4
SMILES
CCCCCCNC(=O)[C@H]1[C@H]2C(=O)N(C[C@H](O2)O1)CC3=CC=CC=C3
InChI
InChI=1S/C19H26N2O4/c1-2-3-4-8-11-20-18(22)16-17-19(23)21(13-15(24-16)25-17)12-14-9-6-5-7-10-14/h5-7,9-10,15-17H,2-4,8,11-13H2,1H3,(H,20,22)/t15-,16+,17-/m0/s1
InChIKey
WFNZJLWEXNCNDU-BBWFWOEESA-N
Compound name
(1S,5S,7R)-3-benzyl-N-hexyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.18927 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.19655 184.6
[M+Na]+ 369.17849 188.6
[M-H]- 345.18199 189.3
[M+NH4]+ 364.22309 196.7
[M+K]+ 385.15243 187.0
[M+H-H2O]+ 329.18653 176.5
[M+HCOO]- 391.18747 199.7
[M+CH3COO]- 405.20312 215.6
[M+Na-2H]- 367.16394 186.1
[M]+ 346.18872 187.0
[M]- 346.18982 187.0
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.