CID 121541

Brn 0711845

Structural Information

Molecular Formula
C20H27N3O2
SMILES
CCOC(=O)NC[C@@H]1C[C@H]2[C@@H](CC3=CN(C4=CC=CC2=C34)C)N(C1)C
InChI
InChI=1S/C20H27N3O2/c1-4-25-20(24)21-10-13-8-16-15-6-5-7-17-19(15)14(12-23(17)3)9-18(16)22(2)11-13/h5-7,12-13,16,18H,4,8-11H2,1-3H3,(H,21,24)/t13-,16+,18+/m0/s1
InChIKey
QCSUNWHWRGONHJ-FDQGKXFDSA-N
Compound name
ethyl N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.21033 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.21761 184.0
[M+Na]+ 364.19955 190.7
[M-H]- 340.20305 186.3
[M+NH4]+ 359.24415 200.0
[M+K]+ 380.17349 185.6
[M+H-H2O]+ 324.20759 175.2
[M+HCOO]- 386.20853 198.3
[M+CH3COO]- 400.22418 193.1
[M+Na-2H]- 362.18500 185.7
[M]+ 341.20978 185.7
[M]- 341.21088 185.7
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.