CID 135706244

2,4-dihydroxybenzaldehyde n-ethylthiosemicarbazone

Structural Information

Molecular Formula
C10H13N3O2S
SMILES
CCNC(=S)N/N=C/C1=C(C=C(C=C1)O)O
InChI
InChI=1S/C10H13N3O2S/c1-2-11-10(16)13-12-6-7-3-4-8(14)5-9(7)15/h3-6,14-15H,2H2,1H3,(H2,11,13,16)/b12-6+
InChIKey
BOUUUWDFYPBCSM-WUXMJOGZSA-N
Compound name
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.07285 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08013 151.3
[M+Na]+ 262.06207 157.3
[M-H]- 238.06557 153.6
[M+NH4]+ 257.10667 167.9
[M+K]+ 278.03601 153.0
[M+H-H2O]+ 222.07011 144.3
[M+HCOO]- 284.07105 171.1
[M+CH3COO]- 298.08670 194.3
[M+Na-2H]- 260.04752 154.0
[M]+ 239.07230 150.6
[M]- 239.07340 150.6
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.