CID 206878

28837-80-1

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₃

SMILES

CN(C)C(=O)C1=C(C2=C(N1)C=CC(=C2)OC)C=O

InChI

InChI=1S/C13H14N2O3/c1-15(2)13(17)12-10(7-16)9-6-8(18-3)4-5-11(9)14-12/h4-7,14H,1-3H3

InChIKey

VVYNSHOMSDUQNN-UHFFFAOYSA-N

Compound name

3-formyl-5-methoxy-N,N-dimethyl-1H-indole-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 246.10045 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.107726	153.2
[M+Na]+	269.089668	162.9
[M-H]-	245.093174	157.6
[M+NH4]+	264.134273	172.3
[M+K]+	285.063608	160.6
[M+H-H2O]+	229.097710	146.6
[M+HCOO]-	291.098651	177.3
[M+CH3COO]-	305.114301	197.1
[M+Na-2H]-	267.075116	157.0
[M]+	246.09990142	158.1
[M]-	246.10099858	158.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe