CID 3074016

Mf 231

Structural Information

Molecular Formula
C28H46N4O3
SMILES
C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NCCCCCCCCCCN4CCOCC4)C)C
InChI
InChI=1S/C28H46N4O3/c1-28-14-17-30(2)26(28)31(3)25-13-12-23(22-24(25)28)35-27(33)29-15-10-8-6-4-5-7-9-11-16-32-18-20-34-21-19-32/h12-13,22,26H,4-11,14-21H2,1-3H3,(H,29,33)/t26-,28+/m1/s1
InChIKey
VUNAAQIKHSGPRS-IAPPQJPRSA-N
Compound name
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(10-morpholin-4-yldecyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.357 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.36428 226.0
[M+Na]+ 509.34622 232.6
[M+NH4]+ 504.39082 232.1
[M+K]+ 525.32016 227.4
[M-H]- 485.34972 228.4
[M+Na-2H]- 507.33167 225.4
[M]+ 486.35645 227.3
[M]- 486.35755 227.3
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.