CID 135493995

Nsc689546

Structural Information

Molecular Formula
C11H15N3O2S
SMILES
C/C(=N\NC(=S)NC)/C1=C(C=C(C=C1)OC)O
InChI
InChI=1S/C11H15N3O2S/c1-7(13-14-11(17)12-2)9-5-4-8(16-3)6-10(9)15/h4-6,15H,1-3H3,(H2,12,14,17)/b13-7+
InChIKey
FPZBHJNCBMQKKI-NTUHNPAUSA-N
Compound name
1-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-3-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.0885 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09578 156.6
[M+Na]+ 276.07772 162.2
[M-H]- 252.08122 160.3
[M+NH4]+ 271.12232 173.3
[M+K]+ 292.05166 159.3
[M+H-H2O]+ 236.08576 149.2
[M+HCOO]- 298.08670 176.5
[M+CH3COO]- 312.10235 200.6
[M+Na-2H]- 274.06317 158.1
[M]+ 253.08795 157.6
[M]- 253.08905 157.6
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.