CID 3075128

(z)-1-(2',6'-dichlorophenyl)-3-(gamma-carboxypropyl)aminomethylene-2-indolinone

Structural Information

Molecular Formula
C19H16Cl2N2O3
SMILES
C1=CC=C2C(=C1)C(=C(N2C3=C(C=CC=C3Cl)Cl)O)C=NCCCC(=O)O
InChI
InChI=1S/C19H16Cl2N2O3/c20-14-6-3-7-15(21)18(14)23-16-8-2-1-5-12(16)13(19(23)26)11-22-10-4-9-17(24)25/h1-3,5-8,11,26H,4,9-10H2,(H,24,25)
InChIKey
MTHYVSJBGJOIHY-UHFFFAOYSA-N
Compound name
4-[[1-(2,6-dichlorophenyl)-2-hydroxyindol-3-yl]methylideneamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.0538 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.06108 188.6
[M+Na]+ 413.04302 199.5
[M-H]- 389.04652 193.9
[M+NH4]+ 408.08762 202.5
[M+K]+ 429.01696 191.4
[M+H-H2O]+ 373.05106 181.7
[M+HCOO]- 435.05200 201.6
[M+CH3COO]- 449.06765 217.8
[M+Na-2H]- 411.02847 189.5
[M]+ 390.05325 196.0
[M]- 390.05435 196.0
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.