CID 135589255

5-bromo-2-hydroxybenzaldehyde n-ethylthiosemicarbazone

Structural Information

Molecular Formula
C10H12BrN3OS
SMILES
CCNC(=S)N/N=C/C1=C(C=CC(=C1)Br)O
InChI
InChI=1S/C10H12BrN3OS/c1-2-12-10(16)14-13-6-7-5-8(11)3-4-9(7)15/h3-6,15H,2H2,1H3,(H2,12,14,16)/b13-6+
InChIKey
MCXGFZPJJONOHE-AWNIVKPZSA-N
Compound name
1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.98846 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.99574 149.3
[M+Na]+ 323.97768 159.0
[M-H]- 299.98118 155.3
[M+NH4]+ 319.02228 167.9
[M+K]+ 339.95162 145.2
[M+H-H2O]+ 283.98572 146.9
[M+HCOO]- 345.98666 168.0
[M+CH3COO]- 360.00231 203.5
[M+Na-2H]- 321.96313 154.2
[M]+ 300.98791 167.4
[M]- 300.98901 167.4
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

No patent data available for this compound.