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

literature stripe

Patent stripe

patents stripe