CID 3046138

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

Structural Information

Molecular Formula
C20H21ClN2O3
SMILES
COC1=C(C=CC(=C1)C=NC2=CC=C(C=C2)Cl)OC(=O)CN3CCCC3
InChI
InChI=1S/C20H21ClN2O3/c1-25-19-12-15(13-22-17-7-5-16(21)6-8-17)4-9-18(19)26-20(24)14-23-10-2-3-11-23/h4-9,12-13H,2-3,10-11,14H2,1H3
InChIKey
MZJZSSZHIOTLSI-UHFFFAOYSA-N
Compound name
[4-[(4-chlorophenyl)iminomethyl]-2-methoxyphenyl] 2-pyrrolidin-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.12408 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13136 188.8
[M+Na]+ 395.11330 195.0
[M-H]- 371.11680 197.9
[M+NH4]+ 390.15790 202.1
[M+K]+ 411.08724 189.8
[M+H-H2O]+ 355.12134 179.1
[M+HCOO]- 417.12228 206.9
[M+CH3COO]- 431.13793 217.5
[M+Na-2H]- 393.09875 188.5
[M]+ 372.12353 192.4
[M]- 372.12463 192.4
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.