CID 15958369

Ethyl (e)-3-cyano-3-(1-ethylindol-3-yl)-2-hydroxy-prop-2-enoate

Structural Information

Molecular Formula
C16H16N2O3
SMILES
CCN1C=C(C2=CC=CC=C21)/C(=C(/C(=O)OCC)\O)/C#N
InChI
InChI=1S/C16H16N2O3/c1-3-18-10-13(11-7-5-6-8-14(11)18)12(9-17)15(19)16(20)21-4-2/h5-8,10,19H,3-4H2,1-2H3/b15-12-
InChIKey
NTLXLEWUABSMLE-QINSGFPZSA-N
Compound name
ethyl (E)-3-cyano-3-(1-ethylindol-3-yl)-2-hydroxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.1161 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.123376 170.8
[M+Na]+ 307.105318 180.5
[M-H]- 283.108824 172.0
[M+NH4]+ 302.149923 185.5
[M+K]+ 323.079258 175.2
[M+H-H2O]+ 267.113360 157.1
[M+HCOO]- 329.114301 186.7
[M+CH3COO]- 343.129951 209.2
[M+Na-2H]- 305.090766 170.9
[M]+ 284.11555142 168.5
[M]- 284.11664858 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.