CID 56603721

Sdz-mar-327

Structural Information

Molecular Formula
C23H33N3O
SMILES
CCC(C)(CC)C(=O)N[C@H]1CC2[C@@H](CC3=C(NC4=CC=CC2=C34)C)N(C1)C
InChI
InChI=1S/C23H33N3O/c1-6-23(4,7-2)22(27)25-15-11-18-16-9-8-10-19-21(16)17(14(3)24-19)12-20(18)26(5)13-15/h8-10,15,18,20,24H,6-7,11-13H2,1-5H3,(H,25,27)/t15-,18?,20+/m0/s1
InChIKey
UXRWQKITDPCICD-BEHPGTHXSA-N
Compound name
N-[(6aR,9S)-5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-ethyl-2-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.26236 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.26964 196.5
[M+Na]+ 390.25158 201.8
[M-H]- 366.25508 197.1
[M+NH4]+ 385.29618 210.8
[M+K]+ 406.22552 195.3
[M+H-H2O]+ 350.25962 188.5
[M+HCOO]- 412.26056 206.3
[M+CH3COO]- 426.27621 223.9
[M+Na-2H]- 388.23703 197.1
[M]+ 367.26181 195.6
[M]- 367.26291 195.6
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.