CID 47297

3-((4,6-bis(dimethylamino)-s-triazin-2-yl)thio)alanine

Structural Information

Molecular Formula
C10H18N6O2S
SMILES
CN(C)C1=NC(=NC(=N1)SCC(C(=O)O)N)N(C)C
InChI
InChI=1S/C10H18N6O2S/c1-15(2)8-12-9(16(3)4)14-10(13-8)19-5-6(11)7(17)18/h6H,5,11H2,1-4H3,(H,17,18)
InChIKey
WKBQNNWWFGYCFN-UHFFFAOYSA-N
Compound name
2-amino-3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1212 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12848 163.2
[M+Na]+ 309.11042 170.2
[M+NH4]+ 304.15502 167.6
[M+K]+ 325.08436 166.7
[M-H]- 285.11392 163.1
[M+Na-2H]- 307.09587 166.0
[M]+ 286.12065 164.0
[M]- 286.12175 164.0
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.