CID 206872

28837-72-1

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]+ 235.107726 150.0
[M+Na]+ 257.089668 158.3
[M-H]- 233.093174 151.2
[M+NH4]+ 252.134273 167.9
[M+K]+ 273.063608 154.6
[M+H-H2O]+ 217.097710 143.5
[M+HCOO]- 279.098651 172.2
[M+CH3COO]- 293.114301 187.9
[M+Na-2H]- 255.075116 155.3
[M]+ 234.09990142 151.7
[M]- 234.10099858 151.7
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.