CID 3038398

Chembl1084880

Structural Information

Molecular Formula
C21H24N2O2
SMILES
CCN1CC[C@@]2([C@H]1CC3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C
InChI
InChI=1S/C21H24N2O2/c1-3-23-12-11-21(2)18-14-17(10-9-15(18)13-19(21)23)25-20(24)22-16-7-5-4-6-8-16/h4-10,14,19H,3,11-13H2,1-2H3,(H,22,24)/t19-,21+/m1/s1
InChIKey
TXJSVDRPBGRIFY-CTNGQTDRSA-N
Compound name
[(3aR,8bS)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.18378 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 181.8
[M+Na]+ 359.17300 188.6
[M-H]- 335.17650 189.0
[M+NH4]+ 354.21760 201.4
[M+K]+ 375.14694 183.5
[M+H-H2O]+ 319.18104 174.0
[M+HCOO]- 381.18198 201.4
[M+CH3COO]- 395.19763 192.4
[M+Na-2H]- 357.15845 182.9
[M]+ 336.18323 182.3
[M]- 336.18433 182.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.