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]+ 289.07875 162.8
[M+Na]+ 311.06069 172.3
[M+NH4]+ 306.10529 168.6
[M+K]+ 327.03463 164.3
[M-H]- 287.06419 162.7
[M+Na-2H]- 309.04614 165.6
[M]+ 288.07092 164.8
[M]- 288.07202 164.8
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.