CID 131751427

1-[5-(methoxymethyl)-2-furanyl]-9h-pyrido[3,4-b]indole-3-carboxylic acid

Structural Information

Molecular Formula
C18H14N2O4
SMILES
COCC1=CC=C(O1)C2=C3C(=CC(=N2)C(=O)O)C4=CC=CC=C4N3
InChI
InChI=1S/C18H14N2O4/c1-23-9-10-6-7-15(24-10)17-16-12(8-14(20-17)18(21)22)11-4-2-3-5-13(11)19-16/h2-8,19H,9H2,1H3,(H,21,22)
InChIKey
DTVVELLZKPXBHH-UHFFFAOYSA-N
Compound name
1-[5-(methoxymethyl)furan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

322.09537 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10265 171.4
[M+Na]+ 345.08459 183.0
[M-H]- 321.08809 177.7
[M+NH4]+ 340.12919 186.2
[M+K]+ 361.05853 178.6
[M+H-H2O]+ 305.09263 164.4
[M+HCOO]- 367.09357 191.7
[M+CH3COO]- 381.10922 183.7
[M+Na-2H]- 343.07004 175.2
[M]+ 322.09482 178.0
[M]- 322.09592 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe