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 213.8
[M+Na]+ 476.29958 214.3
[M-H]- 452.30308 216.0
[M+NH4]+ 471.34418 224.3
[M+K]+ 492.27352 211.3
[M+H-H2O]+ 436.30762 204.3
[M+HCOO]- 498.30856 225.7
[M+CH3COO]- 512.32421 249.5
[M+Na-2H]- 474.28503 211.3
[M]+ 453.30981 214.5
[M]- 453.31091 214.5
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.