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]+ 364.23833 188.9
[M+Na]+ 386.22027 198.4
[M+NH4]+ 381.26487 196.7
[M+K]+ 402.19421 193.4
[M-H]- 362.22377 192.5
[M+Na-2H]- 384.20572 191.4
[M]+ 363.23050 191.1
[M]- 363.23160 191.1
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.