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 179.5
[M+Na]+ 326.16277 187.3
[M-H]- 302.16627 186.3
[M+NH4]+ 321.20737 193.3
[M+K]+ 342.13671 181.1
[M+H-H2O]+ 286.17081 163.8
[M+HCOO]- 348.17175 201.8
[M+CH3COO]- 362.18740 224.9
[M+Na-2H]- 324.14822 182.1
[M]+ 303.17300 175.8
[M]- 303.17410 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.