CID 11253424

24313-71-1

Structural Information

Molecular Formula
C15H13NO2
SMILES
COC(=O)C1=CC=C(C=C1)C=NC2=CC=CC=C2
InChI
InChI=1S/C15H13NO2/c1-18-15(17)13-9-7-12(8-10-13)11-16-14-5-3-2-4-6-14/h2-11H,1H3
InChIKey
LUQFLQBIMGTTCL-UHFFFAOYSA-N
Compound name
methyl 4-(phenyliminomethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

239.09464 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.101916 153.0
[M+Na]+ 262.083858 160.1
[M-H]- 238.087364 161.1
[M+NH4]+ 257.128463 170.7
[M+K]+ 278.057798 157.2
[M+H-H2O]+ 222.091900 145.0
[M+HCOO]- 284.092841 179.5
[M+CH3COO]- 298.108491 195.5
[M+Na-2H]- 260.069306 159.5
[M]+ 239.09409142 154.6
[M]- 239.09518858 154.6
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