CID 3057632

74101-51-2

Structural Information

Molecular Formula
C17H17ClN2O2
SMILES
CC1=CC(=CC(=C1)NC(=NC2=C(C=CC(=C2)Cl)C(=O)O)C)C
InChI
InChI=1S/C17H17ClN2O2/c1-10-6-11(2)8-14(7-10)19-12(3)20-16-9-13(18)4-5-15(16)17(21)22/h4-9H,1-3H3,(H,19,20)(H,21,22)
InChIKey
PEDACOVFHJJABH-UHFFFAOYSA-N
Compound name
4-chloro-2-[1-(3,5-dimethylanilino)ethylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.09787 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10515 173.8
[M+Na]+ 339.08709 187.4
[M+NH4]+ 334.13169 181.3
[M+K]+ 355.06103 180.0
[M-H]- 315.09059 178.6
[M+Na-2H]- 337.07254 181.4
[M]+ 316.09732 177.3
[M]- 316.09842 177.3
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.