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
1
Annotation Hits

0
References

43
Patents

248.13135 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.13863 162.1
[M+Na]+ 271.12057 171.7
[M-H]- 247.12407 168.4
[M+NH4]+ 266.16517 177.8
[M+K]+ 287.09451 165.3
[M+H-H2O]+ 231.12861 147.6
[M+HCOO]- 293.12955 184.0
[M+CH3COO]- 307.14520 210.7
[M+Na-2H]- 269.10602 166.8
[M]+ 248.13080 157.8
[M]- 248.13190 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