CID 170100

Einecs 254-087-7

Structural Information

Molecular Formula
C17H16N2
SMILES
CCCC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C17H16N2/c1-2-3-14-4-6-16(7-5-14)13-19-17-10-8-15(12-18)9-11-17/h4-11,13H,2-3H2,1H3
InChIKey
WNPUCDQWHSMXIN-UHFFFAOYSA-N
Compound name
4-[(4-propylphenyl)methylideneamino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

53
Patents

248.13135 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.138626 162.1
[M+Na]+ 271.120568 171.7
[M-H]- 247.124074 168.4
[M+NH4]+ 266.165173 177.8
[M+K]+ 287.094508 165.3
[M+H-H2O]+ 231.128610 147.6
[M+HCOO]- 293.129551 184.0
[M+CH3COO]- 307.145201 210.7
[M+Na-2H]- 269.106016 166.8
[M]+ 248.13080142 157.8
[M]- 248.13189858 157.8
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

patents stripe