CID 3849165

N,n'-terephthalylidenedianthranilic acid

Structural Information

Molecular Formula
C22H16N2O4
SMILES
C1=CC=C(C(=C1)C(=O)O)N=CC2=CC=C(C=C2)C=NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C22H16N2O4/c25-21(26)17-5-1-3-7-19(17)23-13-15-9-11-16(12-10-15)14-24-20-8-4-2-6-18(20)22(27)28/h1-14H,(H,25,26)(H,27,28)
InChIKey
LMXLVSAFBJFOOU-UHFFFAOYSA-N
Compound name
2-[[4-[(2-carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 187.2
[M+Na]+ 395.10022 192.6
[M-H]- 371.10372 196.9
[M+NH4]+ 390.14482 197.6
[M+K]+ 411.07416 187.9
[M+H-H2O]+ 355.10826 176.9
[M+HCOO]- 417.10920 211.6
[M+CH3COO]- 431.12485 221.4
[M+Na-2H]- 393.08567 190.0
[M]+ 372.11045 187.5
[M]- 372.11155 187.5
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