CID 71468161

Bisthianostat

Structural Information

Molecular Formula
C15H18N4O3S2
SMILES
C1CC1C2=C(N=C(S2)C3=NC=CS3)C(=O)NCCCCC(=O)NO
InChI
InChI=1S/C15H18N4O3S2/c20-10(19-22)3-1-2-6-16-13(21)11-12(9-4-5-9)24-15(18-11)14-17-7-8-23-14/h7-9,22H,1-6H2,(H,16,21)(H,19,20)
InChIKey
MVJAEZIEZVJAFM-UHFFFAOYSA-N
Compound name
5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

9
Patents

366.08203 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.08931 171.3
[M+Na]+ 389.07125 179.7
[M-H]- 365.07475 178.2
[M+NH4]+ 384.11585 179.8
[M+K]+ 405.04519 172.7
[M+H-H2O]+ 349.07929 164.9
[M+HCOO]- 411.08023 185.6
[M+CH3COO]- 425.09588 213.2
[M+Na-2H]- 387.05670 169.9
[M]+ 366.08148 178.2
[M]- 366.08258 178.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe