CID 114608

4-[(4-methoxybenzylidene)amino]benzonitrile

Structural Information

Molecular Formula
C15H12N2O
SMILES
COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H12N2O/c1-18-15-8-4-13(5-9-15)11-17-14-6-2-12(10-16)3-7-14/h2-9,11H,1H3
InChIKey
SZTAFPBCQLNZQR-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenyl)methylideneamino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

95
Patents

236.09496 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10224 156.7
[M+Na]+ 259.08418 167.0
[M-H]- 235.08768 163.3
[M+NH4]+ 254.12878 172.8
[M+K]+ 275.05812 161.7
[M+H-H2O]+ 219.09222 142.4
[M+HCOO]- 281.09316 179.5
[M+CH3COO]- 295.10881 207.1
[M+Na-2H]- 257.06963 162.5
[M]+ 236.09441 153.1
[M]- 236.09551 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe