CID 113255

Einecs 264-232-6

Structural Information

Molecular Formula
C15H20N6OS2
SMILES
CCNC1=CC(=C(C=C1C)N=NC2=NN=C(S2)SCC)NC(=O)C
InChI
InChI=1S/C15H20N6OS2/c1-5-16-11-8-12(17-10(4)22)13(7-9(11)3)18-19-14-20-21-15(24-14)23-6-2/h7-8,16H,5-6H2,1-4H3,(H,17,22)
InChIKey
YVYGGPFQLVAPMM-UHFFFAOYSA-N
Compound name
N-[5-(ethylamino)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]-4-methylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.114 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.12128 182.2
[M+Na]+ 387.10322 190.0
[M-H]- 363.10672 189.2
[M+NH4]+ 382.14782 195.3
[M+K]+ 403.07716 184.2
[M+H-H2O]+ 347.11126 172.7
[M+HCOO]- 409.11220 199.7
[M+CH3COO]- 423.12785 227.3
[M+Na-2H]- 385.08867 182.6
[M]+ 364.11345 187.9
[M]- 364.11455 187.9
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.