CID 3024734

Crl 41219

Structural Information

Molecular Formula
C15H19ClN2O2
SMILES
CC(C(=O)C1=CC(=C(C=C1)NC(=O)C)Cl)N2CCCC2
InChI
InChI=1S/C15H19ClN2O2/c1-10(18-7-3-4-8-18)15(20)12-5-6-14(13(16)9-12)17-11(2)19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKey
MJKJGALYWSDOTP-UHFFFAOYSA-N
Compound name
N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

294.1135 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.120776 169.2
[M+Na]+ 317.102718 174.6
[M-H]- 293.106224 174.1
[M+NH4]+ 312.147323 185.3
[M+K]+ 333.076658 170.5
[M+H-H2O]+ 277.110760 162.0
[M+HCOO]- 339.111701 184.1
[M+CH3COO]- 353.127351 203.5
[M+Na-2H]- 315.088166 167.2
[M]+ 294.11295142 168.8
[M]- 294.11404858 168.8
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

patents stripe