CID 9579537

1-[(e)-1-(4-bromo-3-methyl-isothiazol-5-yl)ethylideneamino]-3-(2-hydroxyethyl)thiourea

Structural Information

Molecular Formula
C9H13BrN4OS2
SMILES
CC1=NSC(=C1Br)/C(=N/NC(=S)NCCO)/C
InChI
InChI=1S/C9H13BrN4OS2/c1-5-7(10)8(17-14-5)6(2)12-13-9(16)11-3-4-15/h15H,3-4H2,1-2H3,(H2,11,13,16)/b12-6+
InChIKey
PRHMISGGMAAIHO-WUXMJOGZSA-N
Compound name
1-[(E)-1-(4-bromo-3-methyl-1,2-thiazol-5-yl)ethylideneamino]-3-(2-hydroxyethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.9714 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.97868 150.4
[M+Na]+ 358.96062 160.9
[M-H]- 334.96412 155.2
[M+NH4]+ 354.00522 168.4
[M+K]+ 374.93456 146.4
[M+H-H2O]+ 318.96866 148.1
[M+HCOO]- 380.96960 162.6
[M+CH3COO]- 394.98525 208.1
[M+Na-2H]- 356.94607 152.3
[M]+ 335.97085 169.5
[M]- 335.97195 169.5
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.