CID 463224

Rd4-2023

Structural Information

Molecular Formula
C15H17Cl2N3O2S
SMILES
CCCCN(CC)C(=O)OC1=NSN=C1C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C15H17Cl2N3O2S/c1-3-5-9-20(4-2)15(21)22-14-13(18-23-19-14)12-10(16)7-6-8-11(12)17/h6-8H,3-5,9H2,1-2H3
InChIKey
UJVDWBDBLKVFOP-UHFFFAOYSA-N
Compound name
[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl] N-butyl-N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

373.04184 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.04912 182.7
[M+Na]+ 396.03106 191.8
[M-H]- 372.03456 188.2
[M+NH4]+ 391.07566 196.7
[M+K]+ 412.00500 186.5
[M+H-H2O]+ 356.03910 175.2
[M+HCOO]- 418.04004 191.2
[M+CH3COO]- 432.05569 215.9
[M+Na-2H]- 394.01651 180.3
[M]+ 373.04129 192.1
[M]- 373.04239 192.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.