CID 3042214

Acetamide, 2-chloro-n-(1,3-dioxo-2-ethyl-2-indanyl)-n-methyl-

Structural Information

Molecular Formula
C14H14ClNO3
SMILES
CCC1(C(=O)C2=CC=CC=C2C1=O)N(C)C(=O)CCl
InChI
InChI=1S/C14H14ClNO3/c1-3-14(16(2)11(17)8-15)12(18)9-6-4-5-7-10(9)13(14)19/h4-7H,3,8H2,1-2H3
InChIKey
WMVAIQKSTXXDPY-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.06622 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07350 159.8
[M+Na]+ 302.05544 169.6
[M-H]- 278.05894 166.1
[M+NH4]+ 297.10004 182.2
[M+K]+ 318.02938 165.9
[M+H-H2O]+ 262.06348 155.6
[M+HCOO]- 324.06442 179.1
[M+CH3COO]- 338.08007 202.9
[M+Na-2H]- 300.04089 162.5
[M]+ 279.06567 165.2
[M]- 279.06677 165.2
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.