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]+ 304.18083 180.0
[M+Na]+ 326.16277 192.6
[M+NH4]+ 321.20737 184.6
[M+K]+ 342.13671 179.9
[M-H]- 302.16627 178.5
[M+Na-2H]- 324.14822 185.7
[M]+ 303.17300 180.6
[M]- 303.17410 180.6
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.