CID 4962705

885524-38-9

Structural Information

Molecular Formula
C15H13ClN2O4S2
SMILES
C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCNC(=O)CCl
InChI
InChI=1S/C15H13ClN2O4S2/c16-7-13(19)17-3-4-18-14(20)12(24-15(18)23)6-9-1-2-10-11(5-9)22-8-21-10/h1-2,5-6H,3-4,7-8H2,(H,17,19)
InChIKey
ANVRVZKVHALZLN-UHFFFAOYSA-N
Compound name
N-[2-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.00052 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.00780 186.7
[M+Na]+ 406.98974 195.6
[M+NH4]+ 402.03434 193.2
[M+K]+ 422.96368 190.0
[M-H]- 382.99324 190.6
[M+Na-2H]- 404.97519 186.7
[M]+ 383.99997 189.9
[M]- 384.00107 189.9
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.