CID 9621220

5-bromo-2-methoxybenzaldehyde n-ethylthiosemicarbazone

Structural Information

Molecular Formula
C11H14BrN3OS
SMILES
CCNC(=S)N/N=C/C1=C(C=CC(=C1)Br)OC
InChI
InChI=1S/C11H14BrN3OS/c1-3-13-11(17)15-14-7-8-6-9(12)4-5-10(8)16-2/h4-7H,3H2,1-2H3,(H2,13,15,17)/b14-7+
InChIKey
RJXVHVWZOLLVCB-VGOFMYFVSA-N
Compound name
1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0041 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.01138 152.5
[M+Na]+ 337.99332 153.1
[M+NH4]+ 333.03792 156.6
[M+K]+ 353.96726 151.8
[M-H]- 313.99682 154.2
[M+Na-2H]- 335.97877 155.5
[M]+ 315.00355 152.0
[M]- 315.00465 152.0
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.