CID 169447973

Wnqhsvuandpefw-uhfffaoysa-n

Structural Information

Molecular Formula
C10H16N4O2S2
SMILES
CN(CC(=O)O)C1=NC(=NC(=N1)CCS)CCS
InChI
InChI=1S/C10H16N4O2S2/c1-14(6-9(15)16)10-12-7(2-4-17)11-8(13-10)3-5-18/h17-18H,2-6H2,1H3,(H,15,16)
InChIKey
WNQHSVUANDPEFW-UHFFFAOYSA-N
Compound name
2-[[4,6-bis(2-sulfanylethyl)-1,3,5-triazin-2-yl]-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.07147 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.078746 159.9
[M+Na]+ 311.060688 167.3
[M-H]- 287.064194 159.3
[M+NH4]+ 306.105293 172.1
[M+K]+ 327.034628 162.9
[M+H-H2O]+ 271.068730 151.9
[M+HCOO]- 333.069671 168.7
[M+CH3COO]- 347.085321 202.7
[M+Na-2H]- 309.046136 159.5
[M]+ 288.07092142 165.1
[M]- 288.07201858 165.1
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.