CID 3062881

99304-24-2

Structural Information

Molecular Formula
C11H18N4O3S2
SMILES
C1CN=C(N1)N2C(=O)C(SC2=S)CN(CCO)CCO
InChI
InChI=1S/C11H18N4O3S2/c16-5-3-14(4-6-17)7-8-9(18)15(11(19)20-8)10-12-1-2-13-10/h8,16-17H,1-7H2,(H,12,13)
InChIKey
WLYMBKAMENXIKD-UHFFFAOYSA-N
Compound name
5-[[bis(2-hydroxyethyl)amino]methyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.08203 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08931 171.6
[M+Na]+ 341.07125 176.4
[M+NH4]+ 336.11585 176.2
[M+K]+ 357.04519 173.2
[M-H]- 317.07475 170.4
[M+Na-2H]- 339.05670 170.8
[M]+ 318.08148 172.1
[M]- 318.08258 172.1
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.