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 180.1
[M+Na]+ 366.13119 187.4
[M-H]- 342.13469 188.1
[M+NH4]+ 361.17579 196.1
[M+K]+ 382.10513 186.1
[M+H-H2O]+ 326.13923 176.0
[M+HCOO]- 388.14017 196.4
[M+CH3COO]- 402.15582 191.2
[M+Na-2H]- 364.11664 177.3
[M]+ 343.14142 184.1
[M]- 343.14252 184.1
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.