CID 3049182

Brn 2979492

Structural Information

Molecular Formula
C15H13NO3
SMILES
COC1=CC=CC(=C1)C=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H13NO3/c1-19-14-4-2-3-11(9-14)10-16-13-7-5-12(6-8-13)15(17)18/h2-10H,1H3,(H,17,18)
InChIKey
NPOCRLHMPTWBTJ-UHFFFAOYSA-N
Compound name
4-[(3-methoxyphenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.08954 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09682 156.0
[M+Na]+ 278.07876 163.3
[M-H]- 254.08226 163.0
[M+NH4]+ 273.12336 172.4
[M+K]+ 294.05270 160.2
[M+H-H2O]+ 238.08680 148.1
[M+HCOO]- 300.08774 181.1
[M+CH3COO]- 314.10339 196.9
[M+Na-2H]- 276.06421 161.2
[M]+ 255.08899 157.6
[M]- 255.09009 157.6
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