CID 3086773

1,4-bis((4,5-dihydro-5-methyl-2-thiazolyl)amino)-2,3-butanediol dihydrochloride

Structural Information

Molecular Formula
C12H22N4O2S2
SMILES
CC1CN=C(S1)NCC(C(CNC2=NCC(S2)C)O)O
InChI
InChI=1S/C12H22N4O2S2/c1-7-3-13-11(19-7)15-5-9(17)10(18)6-16-12-14-4-8(2)20-12/h7-10,17-18H,3-6H2,1-2H3,(H,13,15)(H,14,16)
InChIKey
BUZLYTMVQKLMHW-UHFFFAOYSA-N
Compound name
1,4-bis[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]butane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1184 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12568 169.1
[M+Na]+ 341.10762 173.2
[M+NH4]+ 336.15222 174.9
[M+K]+ 357.08156 170.3
[M-H]- 317.11112 169.7
[M+Na-2H]- 339.09307 170.0
[M]+ 318.11785 170.1
[M]- 318.11895 170.1
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.