CID 3046160

4-chloroanilino-(3-methoxy-4-morpholinoacetoxy)benzylidene hydrochloride

Structural Information

Molecular Formula
C20H21ClN2O4
SMILES
COC1=C(C=CC(=C1)C=NC2=CC=C(C=C2)Cl)OC(=O)CN3CCOCC3
InChI
InChI=1S/C20H21ClN2O4/c1-25-19-12-15(13-22-17-5-3-16(21)4-6-17)2-7-18(19)27-20(24)14-23-8-10-26-11-9-23/h2-7,12-13H,8-11,14H2,1H3
InChIKey
YOTDWCOAVJLATG-UHFFFAOYSA-N
Compound name
[4-[(4-chlorophenyl)iminomethyl]-2-methoxyphenyl] 2-morpholin-4-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.119 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12628 191.9
[M+Na]+ 411.10822 197.2
[M-H]- 387.11172 201.0
[M+NH4]+ 406.15282 201.1
[M+K]+ 427.08216 193.8
[M+H-H2O]+ 371.11626 181.2
[M+HCOO]- 433.11720 206.9
[M+CH3COO]- 447.13285 220.5
[M+Na-2H]- 409.09367 193.9
[M]+ 388.11845 195.2
[M]- 388.11955 195.2
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.