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 181.7
[M+Na]+ 359.17300 192.7
[M+NH4]+ 354.21760 191.6
[M+K]+ 375.14694 186.7
[M-H]- 335.17650 185.8
[M+Na-2H]- 357.15845 187.5
[M]+ 336.18323 184.4
[M]- 336.18433 184.4
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.