CID 200630

Brn 0706832

Structural Information

Molecular Formula
C21H29N3O
SMILES
CC(C)C(=O)NC[C@@H]1CC2[C@@H](CC3=CN(C4=CC=CC2=C34)C)N(C1)C
InChI
InChI=1S/C21H29N3O/c1-13(2)21(25)22-10-14-8-17-16-6-5-7-18-20(16)15(12-24(18)4)9-19(17)23(3)11-14/h5-7,12-14,17,19H,8-11H2,1-4H3,(H,22,25)/t14-,17?,19+/m0/s1
InChIKey
XLAFTMYBZIKQER-AHMQINRISA-N
Compound name
N-[[(6aR,9S)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.23105 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.238326 185.8
[M+Na]+ 362.220268 191.9
[M-H]- 338.223774 188.0
[M+NH4]+ 357.264873 201.8
[M+K]+ 378.194208 186.4
[M+H-H2O]+ 322.228310 177.3
[M+HCOO]- 384.229251 198.5
[M+CH3COO]- 398.244901 194.5
[M+Na-2H]- 360.205716 185.7
[M]+ 339.23050142 185.9
[M]- 339.23159858 185.9
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.