CID 471110

2-chloro-n-[methyl(oxo)[?]yl]acetamide

Structural Information

Molecular Formula
C20H18ClNO3
SMILES
CC1CCC2=C3C1C(=O)C4=C(C=CC(=C4)NC(=O)CCl)OC3=CC=C2
InChI
InChI=1S/C20H18ClNO3/c1-11-5-6-12-3-2-4-16-19(12)18(11)20(24)14-9-13(22-17(23)10-21)7-8-15(14)25-16/h2-4,7-9,11,18H,5-6,10H2,1H3,(H,22,23)
InChIKey
KWQFSRIMLCDZOC-UHFFFAOYSA-N
Compound name
2-chloro-N-(11-methyl-9-oxo-2-oxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaen-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.09753 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.10481 180.7
[M+Na]+ 378.08675 189.0
[M-H]- 354.09025 187.8
[M+NH4]+ 373.13135 196.0
[M+K]+ 394.06069 188.3
[M+H-H2O]+ 338.09479 175.5
[M+HCOO]- 400.09573 192.3
[M+CH3COO]- 414.11138 191.0
[M+Na-2H]- 376.07220 185.6
[M]+ 355.09698 181.6
[M]- 355.09808 181.6
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.