CID 39665

50416-37-0

Structural Information

Molecular Formula
C19H21NO5
SMILES
CC1=C(C2=CC3=C(C=C2N1C(=O)CC4CCCC4)OCO3)CC(=O)O
InChI
InChI=1S/C19H21NO5/c1-11-13(8-19(22)23)14-7-16-17(25-10-24-16)9-15(14)20(11)18(21)6-12-4-2-3-5-12/h7,9,12H,2-6,8,10H2,1H3,(H,22,23)
InChIKey
GWRWKLAWODWDBO-UHFFFAOYSA-N
Compound name
2-[5-(2-cyclopentylacetyl)-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.14197 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14925 177.6
[M+Na]+ 366.13119 186.9
[M+NH4]+ 361.17579 183.9
[M+K]+ 382.10513 189.0
[M-H]- 342.13469 181.0
[M+Na-2H]- 364.11664 177.5
[M]+ 343.14142 179.5
[M]- 343.14252 179.5
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.