CID 9570807

Veratraldehyde (p-(tricyanovinyl)phenyl)hydrazone

Structural Information

Molecular Formula
C20H15N5O2
SMILES
COC1=C(C=C(C=C1)/C=N/NC2=CC=C(C=C2)C(=C(C#N)C#N)C#N)OC
InChI
InChI=1S/C20H15N5O2/c1-26-19-8-3-14(9-20(19)27-2)13-24-25-17-6-4-15(5-7-17)18(12-23)16(10-21)11-22/h3-9,13,25H,1-2H3/b24-13+
InChIKey
JCCHPSKPXIVTJY-ZMOGYAJESA-N
Compound name
2-[4-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]phenyl]ethene-1,1,2-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1226 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12988 190.9
[M+Na]+ 380.11182 197.6
[M-H]- 356.11532 194.6
[M+NH4]+ 375.15642 195.4
[M+K]+ 396.08576 193.1
[M+H-H2O]+ 340.11986 176.5
[M+HCOO]- 402.12080 196.3
[M+CH3COO]- 416.13645 248.3
[M+Na-2H]- 378.09727 187.3
[M]+ 357.12205 183.1
[M]- 357.12315 183.1
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.