CID 129904080

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

Structural Information

Molecular Formula
C16H18N2O4
SMILES
C1CC1NC(=O)[C@H]2[C@H]3C(=O)N(C[C@H](O3)O2)CC4=CC=CC=C4
InChI
InChI=1S/C16H18N2O4/c19-15(17-11-6-7-11)13-14-16(20)18(9-12(21-13)22-14)8-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2,(H,17,19)/t12-,13+,14-/m0/s1
InChIKey
YAXXXODMANSHOY-MJBXVCDLSA-N
Compound name
(1S,5S,7R)-3-benzyl-N-cyclopropyl-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

302.12665 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13393 167.9
[M+Na]+ 325.11587 175.4
[M-H]- 301.11937 177.0
[M+NH4]+ 320.16047 177.0
[M+K]+ 341.08981 173.2
[M+H-H2O]+ 285.12391 160.4
[M+HCOO]- 347.12485 184.0
[M+CH3COO]- 361.14050 178.4
[M+Na-2H]- 323.10132 171.3
[M]+ 302.12610 170.6
[M]- 302.12720 170.6
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.