CID 3074020

Mf 248

Structural Information

Molecular Formula
C29H48N4O2
SMILES
C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NCCCCCCCCCCN4CCCCC4)C)C
InChI
InChI=1S/C29H48N4O2/c1-29-17-22-31(2)27(29)32(3)26-16-15-24(23-25(26)29)35-28(34)30-18-11-8-6-4-5-7-9-12-19-33-20-13-10-14-21-33/h15-16,23,27H,4-14,17-22H2,1-3H3,(H,30,34)/t27-,29+/m1/s1
InChIKey
ALAWSQXXUIFMOD-PXJZQJOASA-N
Compound name
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(10-piperidin-1-yldecyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.37772 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.38500 226.5
[M+Na]+ 507.36694 227.1
[M-H]- 483.37044 228.2
[M+NH4]+ 502.41154 236.9
[M+K]+ 523.34088 220.9
[M+H-H2O]+ 467.37498 215.6
[M+HCOO]- 529.37592 236.0
[M+CH3COO]- 543.39157 242.9
[M+Na-2H]- 505.35239 219.8
[M]+ 484.37717 226.4
[M]- 484.37827 226.4
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.