CID 6447073

(e)-3-(1h-indol-3-yl)-2-propenoic acid 2-(dimethylamino)ethyl ester 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]+ 259.14412 160.7
[M+Na]+ 281.12606 167.9
[M-H]- 257.12956 163.9
[M+NH4]+ 276.17066 178.8
[M+K]+ 297.10000 164.4
[M+H-H2O]+ 241.13410 153.2
[M+HCOO]- 303.13504 183.9
[M+CH3COO]- 317.15069 197.8
[M+Na-2H]- 279.11151 164.6
[M]+ 258.13629 163.9
[M]- 258.13739 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.