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 169.2
[M+Na]+ 317.10272 174.6
[M-H]- 293.10622 174.1
[M+NH4]+ 312.14732 185.3
[M+K]+ 333.07666 170.5
[M+H-H2O]+ 277.11076 162.0
[M+HCOO]- 339.11170 184.1
[M+CH3COO]- 353.12735 203.5
[M+Na-2H]- 315.08817 167.2
[M]+ 294.11295 168.8
[M]- 294.11405 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