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 173.5
[M+Na]+ 339.08709 181.6
[M-H]- 315.09059 180.8
[M+NH4]+ 334.13169 188.7
[M+K]+ 355.06103 176.4
[M+H-H2O]+ 299.09513 166.6
[M+HCOO]- 361.09607 193.3
[M+CH3COO]- 375.11172 212.3
[M+Na-2H]- 337.07254 174.9
[M]+ 316.09732 176.3
[M]- 316.09842 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.