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]+ 317.105146 173.5
[M+Na]+ 339.087088 181.6
[M-H]- 315.090594 180.8
[M+NH4]+ 334.131693 188.7
[M+K]+ 355.061028 176.4
[M+H-H2O]+ 299.095130 166.6
[M+HCOO]- 361.096071 193.3
[M+CH3COO]- 375.111721 212.3
[M+Na-2H]- 337.072536 174.9
[M]+ 316.09732142 176.3
[M]- 316.09841858 176.3
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.