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

6
Patents

294.1135 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12078 167.6
[M+Na]+ 317.10272 177.6
[M+NH4]+ 312.14732 174.5
[M+K]+ 333.07666 173.9
[M-H]- 293.10622 169.7
[M+Na-2H]- 315.08817 172.1
[M]+ 294.11295 169.6
[M]- 294.11405 169.6
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

patents stripe