CID 71300654

C(sub 7)al

Structural Information

Molecular Formula
C23H29N3O
SMILES
CN1C[C@@H](C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)NC5CCCCCC5
InChI
InChI=1S/C23H29N3O/c1-26-14-16(23(27)25-17-7-4-2-3-5-8-17)11-19-18-9-6-10-20-22(18)15(13-24-20)12-21(19)26/h6,9-11,13,16-17,21,24H,2-5,7-8,12,14H2,1H3,(H,25,27)/t16-,21?/m1/s1
InChIKey
DFKNZRDGRBEOOQ-UJONTBEJSA-N
Compound name
(9R)-N-cycloheptyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.23105 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.238326 189.4
[M+Na]+ 386.220268 193.0
[M-H]- 362.223774 194.3
[M+NH4]+ 381.264873 202.4
[M+K]+ 402.194208 188.9
[M+H-H2O]+ 346.228310 180.8
[M+HCOO]- 408.229251 199.9
[M+CH3COO]- 422.244901 196.4
[M+Na-2H]- 384.205716 189.8
[M]+ 363.23050142 181.0
[M]- 363.23159858 181.0
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.