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 189.4
[M+Na]+ 386.22027 193.0
[M-H]- 362.22377 194.3
[M+NH4]+ 381.26487 202.4
[M+K]+ 402.19421 188.9
[M+H-H2O]+ 346.22831 180.8
[M+HCOO]- 408.22925 199.9
[M+CH3COO]- 422.24490 196.4
[M+Na-2H]- 384.20572 189.8
[M]+ 363.23050 181.0
[M]- 363.23160 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.