CID 54090

C 3199

Structural Information

Molecular Formula
C15H19ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)N(C(=O)C)C(=O)CN2CCCC2
InChI
InChI=1S/C15H19ClN2O2/c1-11-6-5-7-13(16)15(11)18(12(2)19)14(20)10-17-8-3-4-9-17/h5-7H,3-4,8-10H2,1-2H3
InChIKey
ZQOWIPFRJAIPFV-UHFFFAOYSA-N
Compound name
N-acetyl-N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1135 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.120776 169.2
[M+Na]+ 317.102718 175.1
[M-H]- 293.106224 175.5
[M+NH4]+ 312.147323 186.0
[M+K]+ 333.076658 171.8
[M+H-H2O]+ 277.110760 161.7
[M+HCOO]- 339.111701 185.6
[M+CH3COO]- 353.127351 205.3
[M+Na-2H]- 315.088166 167.6
[M]+ 294.11295142 170.6
[M]- 294.11404858 170.6
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.