CID 135764760

[(e)-(5-hexyl-4-hydroxy-2-methoxy-phenyl)methyleneamino]thiourea

Structural Information

Molecular Formula
C15H23N3O2S
SMILES
CCCCCCC1=CC(=C(C=C1O)OC)/C=N/NC(=S)N
InChI
InChI=1S/C15H23N3O2S/c1-3-4-5-6-7-11-8-12(10-17-18-15(16)21)14(20-2)9-13(11)19/h8-10,19H,3-7H2,1-2H3,(H3,16,18,21)/b17-10+
InChIKey
XJLSBMDHLCSWIA-LICLKQGHSA-N
Compound name
[(E)-(5-hexyl-4-hydroxy-2-methoxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.1511 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15838 173.0
[M+Na]+ 332.14032 178.0
[M-H]- 308.14382 175.6
[M+NH4]+ 327.18492 187.5
[M+K]+ 348.11426 173.2
[M+H-H2O]+ 292.14836 165.0
[M+HCOO]- 354.14930 192.0
[M+CH3COO]- 368.16495 213.1
[M+Na-2H]- 330.12577 172.1
[M]+ 309.15055 175.5
[M]- 309.15165 175.5
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.