CID 3067411

Brn 6020752

Structural Information

Molecular Formula
C26H39N5O2
SMILES
CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C(C)C
InChI
InChI=1S/C26H39N5O2/c1-6-27-26(33)30(12-8-11-29(4)5)25(32)19-13-21-20-9-7-10-22-24(20)18(15-28-22)14-23(21)31(16-19)17(2)3/h7,9-10,15,17,19,21,23,28H,6,8,11-14,16H2,1-5H3,(H,27,33)/t19-,21?,23-/m1/s1
InChIKey
RGALGKWGBPVFBD-DICHZYRTSA-N
Compound name
(6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propan-2-yl-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

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.31764 211.4
[M+Na]+ 476.29958 217.7
[M+NH4]+ 471.34418 216.8
[M+K]+ 492.27352 214.4
[M-H]- 452.30308 212.9
[M+Na-2H]- 474.28503 210.3
[M]+ 453.30981 212.1
[M]- 453.31091 212.1
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.