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]+ 324.045576 172.6
[M+Na]+ 346.027518 179.6
[M-H]- 322.031024 182.5
[M+NH4]+ 341.072123 188.5
[M+K]+ 362.001458 178.0
[M+H-H2O]+ 306.035560 166.9
[M+HCOO]- 368.036501 184.6
[M+CH3COO]- 382.052151 184.3
[M+Na-2H]- 344.012966 175.0
[M]+ 323.03775142 178.4
[M]- 323.03884858 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