CID 3079367

Carbamic acid, methylphenyl-, 3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl ester, monohydrochloride, (2-alpha,3a-beta,6a-beta)-

Structural Information

Molecular Formula
C19H28N2O2
SMILES
CN1[C@H]2CCC[C@H]2C[C@H]1CCCOC(=O)N(C)C3=CC=CC=C3
InChI
InChI=1S/C19H28N2O2/c1-20-17(14-15-8-6-12-18(15)20)11-7-13-23-19(22)21(2)16-9-4-3-5-10-16/h3-5,9-10,15,17-18H,6-8,11-14H2,1-2H3/t15-,17+,18-/m0/s1
InChIKey
OBXQMSFOTCHZPC-JQHSSLGASA-N
Compound name
3-[(2R,3aS,6aS)-1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]propyl N-methyl-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.2151 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.22238 178.7
[M+Na]+ 339.20432 186.8
[M+NH4]+ 334.24892 186.3
[M+K]+ 355.17826 184.1
[M-H]- 315.20782 181.6
[M+Na-2H]- 337.18977 181.8
[M]+ 316.21455 180.3
[M]- 316.21565 180.3
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.