CID 6447075

(e)-3-(1h-indol-3-yl)-2-propenoic acid 2-(1-piperidinyl)ethyl ester 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]+ 299.17540 171.9
[M+Na]+ 321.15734 176.7
[M-H]- 297.16084 174.3
[M+NH4]+ 316.20194 185.9
[M+K]+ 337.13128 170.9
[M+H-H2O]+ 281.16538 162.6
[M+HCOO]- 343.16632 188.3
[M+CH3COO]- 357.18197 198.2
[M+Na-2H]- 319.14279 173.7
[M]+ 298.16757 169.2
[M]- 298.16867 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.