CID 30813

2-(p-chlorophenoxy)-n-(1-methyl-3-pyrrolidinyl)acetanilide maleate (1:1)

Structural Information

Molecular Formula
C19H21ClN2O2
SMILES
CN1CCC(C1)N(C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H21ClN2O2/c1-21-12-11-17(13-21)22(16-5-3-2-4-6-16)19(23)14-24-18-9-7-15(20)8-10-18/h2-10,17H,11-14H2,1H3
InChIKey
BHUBHXIXNQEOOY-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N-(1-methylpyrrolidin-3-yl)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.12915 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13643 182.0
[M+Na]+ 367.11837 187.2
[M-H]- 343.12187 190.9
[M+NH4]+ 362.16297 196.2
[M+K]+ 383.09231 182.6
[M+H-H2O]+ 327.12641 172.5
[M+HCOO]- 389.12735 199.1
[M+CH3COO]- 403.14300 213.6
[M+Na-2H]- 365.10382 181.7
[M]+ 344.12860 183.6
[M]- 344.12970 183.6
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.