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 159.9
[M+Na]+ 311.06069 167.3
[M-H]- 287.06419 159.3
[M+NH4]+ 306.10529 172.1
[M+K]+ 327.03463 162.9
[M+H-H2O]+ 271.06873 151.9
[M+HCOO]- 333.06967 168.7
[M+CH3COO]- 347.08532 202.7
[M+Na-2H]- 309.04614 159.5
[M]+ 288.07092 165.1
[M]- 288.07202 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.