CID 73557019

93480-08-1

Structural Information

Molecular Formula
C20H21N3
SMILES
CCCCC1=CC=C(C=C1)C=NN=C(C)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C20H21N3/c1-3-4-5-17-6-8-19(9-7-17)15-22-23-16(2)20-12-10-18(14-21)11-13-20/h6-13,15H,3-5H2,1-2H3
InChIKey
KGDRSHNPTQVSLD-UHFFFAOYSA-N
Compound name
4-[N-[(4-butylphenyl)methylideneamino]-C-methylcarbonimidoyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.17355 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.180826 179.5
[M+Na]+ 326.162768 187.3
[M-H]- 302.166274 186.3
[M+NH4]+ 321.207373 193.3
[M+K]+ 342.136708 181.1
[M+H-H2O]+ 286.170810 163.8
[M+HCOO]- 348.171751 201.8
[M+CH3COO]- 362.187401 224.9
[M+Na-2H]- 324.148216 182.1
[M]+ 303.17300142 175.8
[M]- 303.17409858 175.8
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.