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 208.8
[M+Na]+ 447.27302 211.8
[M-H]- 423.27652 210.5
[M+NH4]+ 442.31762 220.8
[M+K]+ 463.24696 208.2
[M+H-H2O]+ 407.28106 201.4
[M+HCOO]- 469.28200 217.2
[M+CH3COO]- 483.29765 237.1
[M+Na-2H]- 445.25847 210.1
[M]+ 424.28325 208.2
[M]- 424.28435 208.2
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.