CID 6438504

56396-35-1

Structural Information

Molecular Formula
C18H12N2O2
SMILES
C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)O
InChI
InChI=1S/C18H12N2O2/c19-11-13(18(21)22)10-14-12-20(15-6-2-1-3-7-15)17-9-5-4-8-16(14)17/h1-10,12H,(H,21,22)/b13-10+
InChIKey
BIZNHCWFGNKBBZ-JLHYYAGUSA-N
Compound name
(E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

38
References

67
Patents

288.08987 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09715 169.7
[M+Na]+ 311.07909 183.0
[M+NH4]+ 306.12369 173.6
[M+K]+ 327.05303 174.1
[M-H]- 287.08259 165.1
[M+Na-2H]- 309.06454 174.0
[M]+ 288.08932 169.4
[M]- 288.09042 169.4
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

patents stripe