CID 6113250

Tert-butyl (2z)-2-cyano-2-(1h-quinolin-2-ylidene)acetate

Structural Information

Molecular Formula
C16H16N2O2
SMILES
CC(C)(C)OC(=O)/C(=C\1/C=CC2=CC=CC=C2N1)/C#N
InChI
InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)12(10-17)14-9-8-11-6-4-5-7-13(11)18-14/h4-9,18H,1-3H3/b14-12-
InChIKey
ZVVGVUDETQKEBQ-OWBHPGMISA-N
Compound name
tert-butyl (2Z)-2-cyano-2-(1H-quinolin-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1212 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12848 166.0
[M+Na]+ 291.11042 176.5
[M+NH4]+ 286.15502 169.2
[M+K]+ 307.08436 167.9
[M-H]- 267.11392 158.8
[M+Na-2H]- 289.09587 167.4
[M]+ 268.12065 164.5
[M]- 268.12175 164.5
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.