CID 3419658

N,n'-(1,4-phenylenedimethylidyne)bis(4-carboxyaniline)

Structural Information

Molecular Formula
C22H16N2O4
SMILES
C1=CC(=CC=C1C=NC2=CC=C(C=C2)C(=O)O)C=NC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C22H16N2O4/c25-21(26)17-5-9-19(10-6-17)23-13-15-1-2-16(4-3-15)14-24-20-11-7-18(8-12-20)22(27)28/h1-14H,(H,25,26)(H,27,28)
InChIKey
IWDAJIGSYCLHBO-UHFFFAOYSA-N
Compound name
4-[[4-[(4-carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
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

literature stripe

Patent stripe

patents stripe