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]+ 285.12338 170.8
[M+Na]+ 307.10532 180.5
[M-H]- 283.10882 172.0
[M+NH4]+ 302.14992 185.5
[M+K]+ 323.07926 175.2
[M+H-H2O]+ 267.11336 157.1
[M+HCOO]- 329.11430 186.7
[M+CH3COO]- 343.12995 209.2
[M+Na-2H]- 305.09077 170.9
[M]+ 284.11555 168.5
[M]- 284.11665 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.