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]+ 340.23833 185.8
[M+Na]+ 362.22027 191.9
[M-H]- 338.22377 188.0
[M+NH4]+ 357.26487 201.8
[M+K]+ 378.19421 186.4
[M+H-H2O]+ 322.22831 177.3
[M+HCOO]- 384.22925 198.5
[M+CH3COO]- 398.24490 194.5
[M+Na-2H]- 360.20572 185.7
[M]+ 339.23050 185.9
[M]- 339.23160 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.