CID 9574738

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

Structural Information

Molecular Formula
C12H17N3O2S
SMILES
C/C(=N/NC(=S)N)/CCC1=C(C=C(C=C1)O)OC
InChI
InChI=1S/C12H17N3O2S/c1-8(14-15-12(13)18)3-4-9-5-6-10(16)7-11(9)17-2/h5-7,16H,3-4H2,1-2H3,(H3,13,15,18)/b14-8-
InChIKey
YVLJDUJJFSKCLA-ZSOIEALJSA-N
Compound name
[(Z)-4-(4-hydroxy-2-methoxyphenyl)butan-2-ylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.10416 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11144 160.9
[M+Na]+ 290.09338 166.0
[M-H]- 266.09688 163.8
[M+NH4]+ 285.13798 176.7
[M+K]+ 306.06732 162.5
[M+H-H2O]+ 250.10142 153.3
[M+HCOO]- 312.10236 179.9
[M+CH3COO]- 326.11801 203.7
[M+Na-2H]- 288.07883 160.9
[M]+ 267.10361 161.3
[M]- 267.10471 161.3
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.