CID 206872

Brn 0480379

Structural Information

Molecular Formula
C12H14N2O3
SMILES
COC1=CC2=C(C=C1)NC(=C2)C(=O)NCCO
InChI
InChI=1S/C12H14N2O3/c1-17-9-2-3-10-8(6-9)7-11(14-10)12(16)13-4-5-15/h2-3,6-7,14-15H,4-5H2,1H3,(H,13,16)
InChIKey
CVJRFLLOYMZJDG-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-5-methoxy-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 151.1
[M+Na]+ 257.08967 161.7
[M+NH4]+ 252.13427 157.7
[M+K]+ 273.06361 158.5
[M-H]- 233.09317 151.3
[M+Na-2H]- 255.07512 155.2
[M]+ 234.09990 152.3
[M]- 234.10100 152.3
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.