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 183.2
[M+Na]+ 369.17849 188.4
[M-H]- 345.18199 187.6
[M+NH4]+ 364.22309 198.5
[M+K]+ 385.15243 185.9
[M+H-H2O]+ 329.18653 175.9
[M+HCOO]- 391.18747 199.2
[M+CH3COO]- 405.20312 217.3
[M+Na-2H]- 367.16394 181.3
[M]+ 346.18872 184.5
[M]- 346.18982 184.5
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.