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]+ 347.196546 183.2
[M+Na]+ 369.178488 188.4
[M-H]- 345.181994 187.6
[M+NH4]+ 364.223093 198.5
[M+K]+ 385.152428 185.9
[M+H-H2O]+ 329.186530 175.9
[M+HCOO]- 391.187471 199.2
[M+CH3COO]- 405.203121 217.3
[M+Na-2H]- 367.163936 181.3
[M]+ 346.18872142 184.5
[M]- 346.18981858 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.