CID 4961817

2-chloro-n-(2,3-dihydro-1,4-benzodioxin-6-yl)-n-(thiophen-2-ylmethyl)acetamide

Structural Information

Molecular Formula
C15H14ClNO3S
SMILES
C1COC2=C(O1)C=CC(=C2)N(CC3=CC=CS3)C(=O)CCl
InChI
InChI=1S/C15H14ClNO3S/c16-9-15(18)17(10-12-2-1-7-21-12)11-3-4-13-14(8-11)20-6-5-19-13/h1-4,7-8H,5-6,9-10H2
InChIKey
QBKUPJQFZWCFBG-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

323.0383 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.04558 172.6
[M+Na]+ 346.02752 179.6
[M-H]- 322.03102 182.5
[M+NH4]+ 341.07212 188.5
[M+K]+ 362.00146 178.0
[M+H-H2O]+ 306.03556 166.9
[M+HCOO]- 368.03650 184.6
[M+CH3COO]- 382.05215 184.3
[M+Na-2H]- 344.01297 175.0
[M]+ 323.03775 178.4
[M]- 323.03885 178.4
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