CID 131873701

Prampine methonitrate

Structural Information

Molecular Formula
C21H30NO4
SMILES
CCC(=O)OCC(C1=CC=CC=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)[N+]3(C)C
InChI
InChI=1S/C21H30NO4/c1-4-20(23)25-14-19(15-8-6-5-7-9-15)21(24)26-18-12-16-10-11-17(13-18)22(16,2)3/h5-9,16-19H,4,10-14H2,1-3H3/q+1/t16-,17+,18?,19?
InChIKey
GIIDTFNXKIHNDG-LPOKXYRGSA-N
Compound name
[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenyl-3-propanoyloxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.21747 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.22475 186.2
[M+Na]+ 383.20669 196.7
[M+NH4]+ 378.25129 195.3
[M+K]+ 399.18063 191.5
[M-H]- 359.21019 188.6
[M+Na-2H]- 381.19214 189.8
[M]+ 360.21692 188.6
[M]- 360.21802 188.6
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.