CID 16121719

1-[5-(hydroxymethyl)-2-furyl]-9h-pyrido[3,4-b]indole-3-carboxamide

Structural Information

Molecular Formula
C17H13N3O3
SMILES
C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C4=CC=C(O4)CO)C(=O)N
InChI
InChI=1S/C17H13N3O3/c18-17(22)13-7-11-10-3-1-2-4-12(10)19-15(11)16(20-13)14-6-5-9(8-21)23-14/h1-7,19,21H,8H2,(H2,18,22)
InChIKey
VXKPNUDKWLHUBX-UHFFFAOYSA-N
Compound name
1-[5-(hydroxymethyl)furan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

307.0957 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10298 167.5
[M+Na]+ 330.08492 178.8
[M-H]- 306.08842 173.4
[M+NH4]+ 325.12952 182.4
[M+K]+ 346.05886 173.7
[M+H-H2O]+ 290.09296 160.5
[M+HCOO]- 352.09390 188.4
[M+CH3COO]- 366.10955 179.6
[M+Na-2H]- 328.07037 171.6
[M]+ 307.09515 170.8
[M]- 307.09625 170.8
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