CID 9574739

[(z)-[3-(4-hydroxy-2-propoxy-phenyl)-1-methyl-propylidene]amino]thiourea

Structural Information

Molecular Formula
C14H21N3O2S
SMILES
CCCOC1=C(C=CC(=C1)O)CC/C(=N\NC(=S)N)/C
InChI
InChI=1S/C14H21N3O2S/c1-3-8-19-13-9-12(18)7-6-11(13)5-4-10(2)16-17-14(15)20/h6-7,9,18H,3-5,8H2,1-2H3,(H3,15,17,20)/b16-10-
InChIKey
FEZAZICBQHRPCW-YBEGLDIGSA-N
Compound name
[(Z)-4-(4-hydroxy-2-propoxyphenyl)butan-2-ylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.13544 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14272 169.5
[M+Na]+ 318.12466 173.7
[M-H]- 294.12816 171.9
[M+NH4]+ 313.16926 184.1
[M+K]+ 334.09860 169.7
[M+H-H2O]+ 278.13270 161.5
[M+HCOO]- 340.13364 187.8
[M+CH3COO]- 354.14929 209.7
[M+Na-2H]- 316.11011 168.6
[M]+ 295.13489 170.6
[M]- 295.13599 170.6
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.