CID 9579538

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

Structural Information

Molecular Formula
C10H15BrN4OS2
SMILES
CCOCCNC(=S)N/N=C/C1=C(C(=NS1)C)Br
InChI
InChI=1S/C10H15BrN4OS2/c1-3-16-5-4-12-10(17)14-13-6-8-9(11)7(2)15-18-8/h6H,3-5H2,1-2H3,(H2,12,14,17)/b13-6+
InChIKey
ISSXWRHMXMOAAL-AWNIVKPZSA-N
Compound name
1-[(E)-(4-bromo-3-methyl-1,2-thiazol-5-yl)methylideneamino]-3-(2-ethoxyethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.98706 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.99434 153.4
[M+Na]+ 372.97628 164.3
[M-H]- 348.97978 159.3
[M+NH4]+ 368.02088 171.7
[M+K]+ 388.95022 150.0
[M+H-H2O]+ 332.98432 150.7
[M+HCOO]- 394.98526 167.7
[M+CH3COO]- 409.00091 212.2
[M+Na-2H]- 370.96173 156.1
[M]+ 349.98651 175.1
[M]- 349.98761 175.1
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.