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 187.8
[M+Na]+ 395.11330 200.9
[M+NH4]+ 390.15790 195.1
[M+K]+ 411.08724 194.3
[M-H]- 371.11680 193.1
[M+Na-2H]- 393.09875 195.7
[M]+ 372.12353 191.3
[M]- 372.12463 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.