CID 18957007

Schembl6695569

Structural Information

Molecular Formula
C24H31N3O2
SMILES
CN1C2CCC1CC(C2)NC(=O)C3=CN(C4=CC=CC=C4C3=O)C5CCCCC5
InChI
InChI=1S/C24H31N3O2/c1-26-18-11-12-19(26)14-16(13-18)25-24(29)21-15-27(17-7-3-2-4-8-17)22-10-6-5-9-20(22)23(21)28/h5-6,9-10,15-19H,2-4,7-8,11-14H2,1H3,(H,25,29)
InChIKey
RFXHBILZLMJCSN-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

456
Patents

393.24164 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.24892 195.4
[M+Na]+ 416.23086 198.0
[M-H]- 392.23436 200.6
[M+NH4]+ 411.27546 207.0
[M+K]+ 432.20480 191.5
[M+H-H2O]+ 376.23890 184.5
[M+HCOO]- 438.23984 205.2
[M+CH3COO]- 452.25549 201.8
[M+Na-2H]- 414.21631 193.2
[M]+ 393.24109 188.2
[M]- 393.24219 188.2
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.