CID 9570817

73806-34-5

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CC\1=C/C(=C(\C#N)/C2=CC=C(C=C2)OC)/C=C/C1=N/O
InChI
InChI=1S/C16H14N2O2/c1-11-9-13(5-8-16(11)18-19)15(10-17)12-3-6-14(20-2)7-4-12/h3-9,19H,1-2H3/b15-13+,18-16-
InChIKey
WQYXMICNXOTRBT-YIVMMISZSA-N
Compound name
(2Z)-2-[(4Z)-4-hydroxyimino-3-methylcyclohexa-2,5-dien-1-ylidene]-2-(4-methoxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 164.5
[M+Na]+ 289.09475 176.7
[M+NH4]+ 284.13935 168.5
[M+K]+ 305.06869 166.5
[M-H]- 265.09825 161.0
[M+Na-2H]- 287.08020 168.9
[M]+ 266.10498 164.3
[M]- 266.10608 164.3
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.