CID 514270

494799-84-7

Structural Information

Molecular Formula
C22H23NO5
SMILES
COC(=O)C1=CC2=C(C=C1)C(=C(N2CC(=O)O)C3=COC=C3)C4CCCCC4
InChI
InChI=1S/C22H23NO5/c1-27-22(26)15-7-8-17-18(11-15)23(12-19(24)25)21(16-9-10-28-13-16)20(17)14-5-3-2-4-6-14/h7-11,13-14H,2-6,12H2,1H3,(H,24,25)
InChIKey
DOAHINDPOVSBOI-UHFFFAOYSA-N
Compound name
2-[3-cyclohexyl-2-(furan-3-yl)-6-methoxycarbonylindol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

381.15762 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16490 189.3
[M+Na]+ 404.14684 195.2
[M-H]- 380.15034 198.5
[M+NH4]+ 399.19144 201.8
[M+K]+ 420.12078 192.4
[M+H-H2O]+ 364.15488 181.8
[M+HCOO]- 426.15582 206.3
[M+CH3COO]- 440.17147 215.4
[M+Na-2H]- 402.13229 186.4
[M]+ 381.15707 191.4
[M]- 381.15817 191.4
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

patents stripe