CID 853536

380582-94-5

Structural Information

Molecular Formula
C14H17N5O3S
SMILES
CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C(=O)N2N)C
InChI
InChI=1S/C14H17N5O3S/c1-3-22-11-6-4-10(5-7-11)16-12(20)8-23-14-18-17-9(2)13(21)19(14)15/h4-7H,3,8,15H2,1-2H3,(H,16,20)
InChIKey
VPLILZAADUWWDC-UHFFFAOYSA-N
Compound name
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.10522 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.11250 176.1
[M+Na]+ 358.09444 187.5
[M+NH4]+ 353.13904 180.8
[M+K]+ 374.06838 180.7
[M-H]- 334.09794 178.1
[M+Na-2H]- 356.07989 181.7
[M]+ 335.10467 178.4
[M]- 335.10577 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

No patent data available for this compound.