CID 3067410

Brn 6022328

Structural Information

Molecular Formula
C26H39N5O2
SMILES
CCCN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N(CCCN(C)C)C(=O)NCC
InChI
InChI=1S/C26H39N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h7,9-10,16,19,21,23,28H,5-6,8,11-15,17H2,1-4H3,(H,27,33)/t19-,21?,23-/m1/s1
InChIKey
HHPNSRKMOPOTKB-DICHZYRTSA-N
Compound name
(6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-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

453.31036 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.31764 212.2
[M+Na]+ 476.29958 219.0
[M+NH4]+ 471.34418 217.8
[M+K]+ 492.27352 214.8
[M-H]- 452.30308 213.9
[M+Na-2H]- 474.28503 211.4
[M]+ 453.30981 213.1
[M]- 453.31091 213.1
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.