CID 207230

9-methylgranatoline 2-chloro-6-methylcarbanilate (ester) monohydrochloride

Structural Information

Molecular Formula
C17H23ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)OC2C[C@H]3CCC[C@@H](C2)N3C
InChI
InChI=1S/C17H23ClN2O2/c1-11-5-3-8-15(18)16(11)19-17(21)22-14-9-12-6-4-7-13(10-14)20(12)2/h3,5,8,12-14H,4,6-7,9-10H2,1-2H3,(H,19,21)/t12-,13+,14?
InChIKey
JCIJOBBVWSYYRS-PBWFPOADSA-N
Compound name
[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl] N-(2-chloro-6-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1448 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15208 174.0
[M+Na]+ 345.13402 186.2
[M+NH4]+ 340.17862 182.7
[M+K]+ 361.10796 178.4
[M-H]- 321.13752 177.5
[M+Na-2H]- 343.11947 178.0
[M]+ 322.14425 176.9
[M]- 322.14535 176.9
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.