CID 3067407

Brn 6014493

Structural Information

Molecular Formula
C25H36N4O2
SMILES
CC(C)(C)NC(=O)N(C(=O)[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C)C(C)(C)C
InChI
InChI=1S/C25H36N4O2/c1-24(2,3)27-23(31)29(25(4,5)6)22(30)16-11-18-17-9-8-10-19-21(17)15(13-26-19)12-20(18)28(7)14-16/h8-10,13,16,18,20,26H,11-12,14H2,1-7H3,(H,27,31)/t16-,18?,20-/m1/s1
InChIKey
HWUBVSKXBOSOFK-OPZSGVPXSA-N
Compound name
(6aR,9R)-N-tert-butyl-N-(tert-butylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.2838 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.29108 202.9
[M+Na]+ 447.27302 210.3
[M+NH4]+ 442.31762 208.6
[M+K]+ 463.24696 208.1
[M-H]- 423.27652 203.0
[M+Na-2H]- 445.25847 202.7
[M]+ 424.28325 203.6
[M]- 424.28435 203.6
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.