CID 9677646

329777-96-0

Structural Information

Molecular Formula
C22H19Cl2N3O2
SMILES
C1=CC=C(C=C1)NCC(=O)N/N=C/C2=CC=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C22H19Cl2N3O2/c23-18-9-8-17(21(24)12-18)15-29-20-10-6-16(7-11-20)13-26-27-22(28)14-25-19-4-2-1-3-5-19/h1-13,25H,14-15H2,(H,27,28)/b26-13+
InChIKey
WSBQWPBFBALDIX-LGJNPRDNSA-N
Compound name
2-anilino-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.08542 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.092696 201.1
[M+Na]+ 450.074638 207.4
[M-H]- 426.078144 210.6
[M+NH4]+ 445.119243 211.6
[M+K]+ 466.048578 199.9
[M+H-H2O]+ 410.082680 191.6
[M+HCOO]- 472.083621 218.6
[M+CH3COO]- 486.099271 232.1
[M+Na-2H]- 448.060086 204.2
[M]+ 427.08487142 206.0
[M]- 427.08596858 206.0
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.