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]+ 268.111436 160.9
[M+Na]+ 290.093378 166.0
[M-H]- 266.096884 163.8
[M+NH4]+ 285.137983 176.7
[M+K]+ 306.067318 162.5
[M+H-H2O]+ 250.101420 153.3
[M+HCOO]- 312.102361 179.9
[M+CH3COO]- 326.118011 203.7
[M+Na-2H]- 288.078826 160.9
[M]+ 267.10361142 161.3
[M]- 267.10470858 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.