CID 6509848

Brn 5948238

Structural Information

Molecular Formula
C11H11N3OS
SMILES
C#CCOC1=CC=CC=C1/C=N\NC(=S)N
InChI
InChI=1S/C11H11N3OS/c1-2-7-15-10-6-4-3-5-9(10)8-13-14-11(12)16/h1,3-6,8H,7H2,(H3,12,14,16)/b13-8-
InChIKey
LTVRJSHGMZTQBE-JYRVWZFOSA-N
Compound name
[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.06229 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.06957 151.6
[M+Na]+ 256.05151 160.6
[M+NH4]+ 251.09611 155.4
[M+K]+ 272.02545 150.1
[M-H]- 232.05501 146.5
[M+Na-2H]- 254.03696 154.0
[M]+ 233.06174 150.7
[M]- 233.06284 150.7
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.