CID 3074017

Mf 239

Structural Information

Molecular Formula
C26H42N4O2S
SMILES
C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NCCCCCCCCN4CCSCC4)C)C
InChI
InChI=1S/C26H42N4O2S/c1-26-12-15-28(2)24(26)29(3)23-11-10-21(20-22(23)26)32-25(31)27-13-8-6-4-5-7-9-14-30-16-18-33-19-17-30/h10-11,20,24H,4-9,12-19H2,1-3H3,(H,27,31)/t24-,26+/m1/s1
InChIKey
IOZXPBFEPUGENK-RSXGOPAZSA-N
Compound name
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(8-thiomorpholin-4-yloctyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.30286 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.31014 217.9
[M+Na]+ 497.29208 224.5
[M+NH4]+ 492.33668 225.4
[M+K]+ 513.26602 216.9
[M-H]- 473.29558 219.6
[M+Na-2H]- 495.27753 218.9
[M]+ 474.30231 219.5
[M]- 474.30341 219.5
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.