CID 872579

Dtxsid70417929

Structural Information

Molecular Formula
C10H13N3O2S
SMILES
CCOC1=C(C=CC(=C1)C=NNC(=S)N)O
InChI
InChI=1S/C10H13N3O2S/c1-2-15-9-5-7(3-4-8(9)14)6-12-13-10(11)16/h3-6,14H,2H2,1H3,(H3,11,13,16)
InChIKey
CFEVJBPVXXAVRL-UHFFFAOYSA-N
Compound name
[(3-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.07285 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08013 151.3
[M+Na]+ 262.06207 157.6
[M-H]- 238.06557 154.5
[M+NH4]+ 257.10667 168.3
[M+K]+ 278.03601 153.9
[M+H-H2O]+ 222.07011 144.0
[M+HCOO]- 284.07105 172.0
[M+CH3COO]- 298.08670 196.8
[M+Na-2H]- 260.04752 153.4
[M]+ 239.07230 151.6
[M]- 239.07340 151.6
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.