CID 9588268

P-tolualdehyde, (p-tricyanovinylphenyl)hydrazone

Structural Information

Molecular Formula
C19H13N5
SMILES
CC1=CC=C(C=C1)/C=N/NC2=CC=C(C=C2)C(=C(C#N)C#N)C#N
InChI
InChI=1S/C19H13N5/c1-14-2-4-15(5-3-14)13-23-24-18-8-6-16(7-9-18)19(12-22)17(10-20)11-21/h2-9,13,24H,1H3/b23-13+
InChIKey
HJGRJTQPGNIZHF-YDZHTSKRSA-N
Compound name
2-[4-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]phenyl]ethene-1,1,2-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1171 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12438 189.4
[M+Na]+ 334.10632 196.2
[M-H]- 310.10982 193.1
[M+NH4]+ 329.15092 194.6
[M+K]+ 350.08026 190.9
[M+H-H2O]+ 294.11436 175.1
[M+HCOO]- 356.11530 194.7
[M+CH3COO]- 370.13095 245.2
[M+Na-2H]- 332.09177 186.0
[M]+ 311.11655 180.4
[M]- 311.11765 180.4
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.