CID 86032

Dtxsid5066081

Structural Information

Molecular Formula
C21H17NO3
SMILES
COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H17NO3/c1-24-19-11-7-16(8-12-19)15-22-18-9-13-20(14-10-18)25-21(23)17-5-3-2-4-6-17/h2-15H,1H3
InChIKey
ZXGYKJZWIKJRHR-UHFFFAOYSA-N
Compound name
[4-[(4-methoxyphenyl)methylideneamino]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

331.12085 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12813 178.4
[M+Na]+ 354.11007 184.7
[M-H]- 330.11357 189.2
[M+NH4]+ 349.15467 191.7
[M+K]+ 370.08401 180.6
[M+H-H2O]+ 314.11811 168.1
[M+HCOO]- 376.11905 204.1
[M+CH3COO]- 390.13470 212.7
[M+Na-2H]- 352.09552 183.3
[M]+ 331.12030 181.0
[M]- 331.12140 181.0
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