CID 206503

50332-10-0

Structural Information

Molecular Formula
C16H17NO5
SMILES
CCCC(=O)N1C(=C(C2=CC3=C(C=C21)OCO3)CC(=O)O)C
InChI
InChI=1S/C16H17NO5/c1-3-4-15(18)17-9(2)10(6-16(19)20)11-5-13-14(7-12(11)17)22-8-21-13/h5,7H,3-4,6,8H2,1-2H3,(H,19,20)
InChIKey
RISYNXLXYMWDHS-UHFFFAOYSA-N
Compound name
2-(5-butanoyl-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

303.1107 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11798 167.6
[M+Na]+ 326.09992 178.4
[M+NH4]+ 321.14452 173.5
[M+K]+ 342.07386 178.6
[M-H]- 302.10342 169.4
[M+Na-2H]- 324.08537 167.5
[M]+ 303.11015 169.4
[M]- 303.11125 169.4
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

No patent data available for this compound.