CID 207216

29364-10-1

Structural Information

Molecular Formula
C19H26N2O4
SMILES
CC1=C(C(=CC=C1)C)NC(=O)O[C@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)OC)N3C
InChI
InChI=1S/C19H26N2O4/c1-11-6-5-7-12(2)17(11)20-19(23)25-15-10-13-8-9-14(21(13)3)16(15)18(22)24-4/h5-7,13-16H,8-10H2,1-4H3,(H,20,23)/t13-,14+,15+,16-/m1/s1
InChIKey
CLGLNSPUISIESR-FXUDXRNXSA-N
Compound name
methyl (1S,2R,3S,5R)-3-[(2,6-dimethylphenyl)carbamoyloxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.18927 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.19655 182.7
[M+Na]+ 369.17849 191.5
[M+NH4]+ 364.22309 188.9
[M+K]+ 385.15243 188.4
[M-H]- 345.18199 183.9
[M+Na-2H]- 367.16394 183.4
[M]+ 346.18872 183.9
[M]- 346.18982 183.9
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.