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 213.6
[M+Na]+ 476.29958 214.4
[M-H]- 452.30308 215.7
[M+NH4]+ 471.34418 224.2
[M+K]+ 492.27352 210.7
[M+H-H2O]+ 436.30762 203.7
[M+HCOO]- 498.30856 226.4
[M+CH3COO]- 512.32421 248.6
[M+Na-2H]- 474.28503 212.1
[M]+ 453.30981 214.8
[M]- 453.31091 214.8
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.