CID 3067406

Brn 6018264

Structural Information

Molecular Formula
C25H36N4O2
SMILES
CCCN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N(C(C)C)C(=O)NC(C)C
InChI
InChI=1S/C25H36N4O2/c1-6-10-28-14-18(24(30)29(16(4)5)25(31)27-15(2)3)11-20-19-8-7-9-21-23(19)17(13-26-21)12-22(20)28/h7-9,13,15-16,18,20,22,26H,6,10-12,14H2,1-5H3,(H,27,31)/t18-,20?,22-/m1/s1
InChIKey
WKQNRMKDZKSJGR-HCNFZCTASA-N
Compound name
(6aR,9R)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-7-propyl-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

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.29108 204.3
[M+Na]+ 447.27302 211.7
[M+NH4]+ 442.31762 210.1
[M+K]+ 463.24696 208.4
[M-H]- 423.27652 205.1
[M+Na-2H]- 445.25847 203.1
[M]+ 424.28325 205.1
[M]- 424.28435 205.1
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.