CID 3086765

Brn 5560509

Structural Information

Molecular Formula
C12H22N4O2S2
SMILES
C=CCNC(=S)NCC(C(CNC(=S)NCC=C)O)O
InChI
InChI=1S/C12H22N4O2S2/c1-3-5-13-11(19)15-7-9(17)10(18)8-16-12(20)14-6-4-2/h3-4,9-10,17-18H,1-2,5-8H2,(H2,13,15,19)(H2,14,16,20)
InChIKey
FJWJXBTYTGERGM-UHFFFAOYSA-N
Compound name
1-[2,3-dihydroxy-4-(prop-2-enylcarbamothioylamino)butyl]-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1184 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12568 173.0
[M+Na]+ 341.10762 173.1
[M+NH4]+ 336.15222 176.0
[M+K]+ 357.08156 167.8
[M-H]- 317.11112 170.2
[M+Na-2H]- 339.09307 170.5
[M]+ 318.11785 172.0
[M]- 318.11895 172.0
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.