CID 514259

1h-indole-6-carboxylic acid, 3-cyclohexyl-2-(2-furanyl)-

Structural Information

Molecular Formula
C19H19NO3
SMILES
C1CCC(CC1)C2=C(NC3=C2C=CC(=C3)C(=O)O)C4=CC=CO4
InChI
InChI=1S/C19H19NO3/c21-19(22)13-8-9-14-15(11-13)20-18(16-7-4-10-23-16)17(14)12-5-2-1-3-6-12/h4,7-12,20H,1-3,5-6H2,(H,21,22)
InChIKey
XAIFPKTVJLHANQ-UHFFFAOYSA-N
Compound name
3-cyclohexyl-2-(furan-2-yl)-1H-indole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1365 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14378 170.6
[M+Na]+ 332.12572 177.1
[M-H]- 308.12922 178.4
[M+NH4]+ 327.17032 185.4
[M+K]+ 348.09966 172.5
[M+H-H2O]+ 292.13376 163.6
[M+HCOO]- 354.13470 187.7
[M+CH3COO]- 368.15035 181.3
[M+Na-2H]- 330.11117 170.3
[M]+ 309.13595 168.1
[M]- 309.13705 168.1
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.