CID 6447075

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

Structural Information

Molecular Formula
C18H22N2O2
SMILES
C1CCN(CC1)CCOC(=O)/C=C/C2=CNC3=CC=CC=C32
InChI
InChI=1S/C18H22N2O2/c21-18(22-13-12-20-10-4-1-5-11-20)9-8-15-14-19-17-7-3-2-6-16(15)17/h2-3,6-9,14,19H,1,4-5,10-13H2/b9-8+
InChIKey
WEPQVBIWZTVNQK-CMDGGOBGSA-N
Compound name
2-piperidin-1-ylethyl (E)-3-(1H-indol-3-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.175396 171.9
[M+Na]+ 321.157338 176.7
[M-H]- 297.160844 174.3
[M+NH4]+ 316.201943 185.9
[M+K]+ 337.131278 170.9
[M+H-H2O]+ 281.165380 162.6
[M+HCOO]- 343.166321 188.3
[M+CH3COO]- 357.181971 198.2
[M+Na-2H]- 319.142786 173.7
[M]+ 298.16757142 169.2
[M]- 298.16866858 169.2
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.