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 176.2
[M+Na]+ 358.09444 184.7
[M-H]- 334.09794 179.2
[M+NH4]+ 353.13904 185.7
[M+K]+ 374.06838 179.4
[M+H-H2O]+ 318.10248 166.4
[M+HCOO]- 380.10342 192.7
[M+CH3COO]- 394.11907 213.1
[M+Na-2H]- 356.07989 177.9
[M]+ 335.10467 180.0
[M]- 335.10577 180.0
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.