CID 16226796

5-ethoxy-2-methyl-2h,3h,8h-furo[3,2-g]indole-7-carboxylic acid

Structural Information

Molecular Formula
C14H15NO4
SMILES
CCOC1=C2C=C(NC2=C3C(=C1)CC(O3)C)C(=O)O
InChI
InChI=1S/C14H15NO4/c1-3-18-11-5-8-4-7(2)19-13(8)12-9(11)6-10(15-12)14(16)17/h5-7,15H,3-4H2,1-2H3,(H,16,17)
InChIKey
HMLGGFSSMVUDLA-UHFFFAOYSA-N
Compound name
5-ethoxy-2-methyl-3,8-dihydro-2H-furo[3,2-g]indole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1001 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.107376 157.1
[M+Na]+ 284.089318 167.3
[M-H]- 260.092824 160.5
[M+NH4]+ 279.133923 176.1
[M+K]+ 300.063258 164.4
[M+H-H2O]+ 244.097360 152.4
[M+HCOO]- 306.098301 175.9
[M+CH3COO]- 320.113951 192.6
[M+Na-2H]- 282.074766 159.6
[M]+ 261.09955142 161.4
[M]- 261.10064858 161.4
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.