CID 6447073

2-propenoic acid, 3-(1h-indol-3-yl)-, 2-(dimethylamino)ethyl ester, (e)-, ethanedioate (1:1)

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CN(C)CCOC(=O)/C=C/C1=CNC2=CC=CC=C21
InChI
InChI=1S/C15H18N2O2/c1-17(2)9-10-19-15(18)8-7-12-11-16-14-6-4-3-5-13(12)14/h3-8,11,16H,9-10H2,1-2H3/b8-7+
InChIKey
MDOLOCNYCYYKSA-BQYQJAHWSA-N
Compound name
2-(dimethylamino)ethyl (E)-3-(1H-indol-3-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 160.7
[M+Na]+ 281.126058 167.9
[M-H]- 257.129564 163.9
[M+NH4]+ 276.170663 178.8
[M+K]+ 297.099998 164.4
[M+H-H2O]+ 241.134100 153.2
[M+HCOO]- 303.135041 183.9
[M+CH3COO]- 317.150691 197.8
[M+Na-2H]- 279.111506 164.6
[M]+ 258.13629142 163.9
[M]- 258.13738858 163.9
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.