CID 9579532

1-(2-hydroxyethyl)-3-[(e)-1-(3-methylisothiazol-5-yl)ethylideneamino]thiourea

Structural Information

Molecular Formula
C9H14N4OS2
SMILES
CC1=NSC(=C1)/C(=N/NC(=S)NCCO)/C
InChI
InChI=1S/C9H14N4OS2/c1-6-5-8(16-13-6)7(2)11-12-9(15)10-3-4-14/h5,14H,3-4H2,1-2H3,(H2,10,12,15)/b11-7+
InChIKey
ZNJOVQPVJHQMQK-YRNVUSSQSA-N
Compound name
1-(2-hydroxyethyl)-3-[(E)-1-(3-methyl-1,2-thiazol-5-yl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0609 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06818 155.7
[M+Na]+ 281.05012 161.7
[M-H]- 257.05362 157.7
[M+NH4]+ 276.09472 172.7
[M+K]+ 297.02406 157.2
[M+H-H2O]+ 241.05816 148.2
[M+HCOO]- 303.05910 169.6
[M+CH3COO]- 317.07475 198.3
[M+Na-2H]- 279.03557 155.2
[M]+ 258.06035 156.4
[M]- 258.06145 156.4
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.