CID 3074013

Mf 268

Structural Information

Molecular Formula
C28H46N4O3
SMILES
C[C@@H]1CN(C[C@@H](O1)C)CCCCCCCCNC(=O)OC2=CC3=C(C=C2)N([C@@H]4[C@]3(CCN4C)C)C
InChI
InChI=1S/C28H46N4O3/c1-21-19-32(20-22(2)34-21)16-11-9-7-6-8-10-15-29-27(33)35-23-12-13-25-24(18-23)28(3)14-17-30(4)26(28)31(25)5/h12-13,18,21-22,26H,6-11,14-17,19-20H2,1-5H3,(H,29,33)/t21-,22+,26-,28+/m1/s1
InChIKey
CJMJXTWMGXRFOM-FKTURHEWSA-N
Compound name
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-[8-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

22
Patents

486.357 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.36428 226.2
[M+Na]+ 509.34622 233.4
[M+NH4]+ 504.39082 232.3
[M+K]+ 525.32016 228.7
[M-H]- 485.34972 228.7
[M+Na-2H]- 507.33167 225.1
[M]+ 486.35645 227.7
[M]- 486.35755 227.7
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

patents stripe