CID 1380532

N,n'-terephthalylidenebis(3-carboxyaniline)

Structural Information

Molecular Formula
C22H16N2O4
SMILES
C1=CC(=CC(=C1)N=CC2=CC=C(C=C2)C=NC3=CC=CC(=C3)C(=O)O)C(=O)O
InChI
InChI=1S/C22H16N2O4/c25-21(26)17-3-1-5-19(11-17)23-13-15-7-9-16(10-8-15)14-24-20-6-2-4-18(12-20)22(27)28/h1-14H,(H,25,26)(H,27,28)
InChIKey
JAZTUPYMICDXGO-UHFFFAOYSA-N
Compound name
3-[[4-[(3-carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.111 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11828 188.7
[M+Na]+ 395.10022 201.9
[M+NH4]+ 390.14482 194.4
[M+K]+ 411.07416 194.6
[M-H]- 371.10372 194.6
[M+Na-2H]- 393.08567 198.1
[M]+ 372.11045 192.0
[M]- 372.11155 192.0
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

No patent data available for this compound.