CID 11821048

1-[(e)-1-(4-decoxyphenyl)ethylideneamino]-2-methyl-isothiourea

Structural Information

Molecular Formula
C20H33N3OS
SMILES
CCCCCCCCCCOC1=CC=C(C=C1)/C(=N/N=C(/N)\SC)/C
InChI
InChI=1S/C20H33N3OS/c1-4-5-6-7-8-9-10-11-16-24-19-14-12-18(13-15-19)17(2)22-23-20(21)25-3/h12-15H,4-11,16H2,1-3H3,(H2,21,23)/b22-17+
InChIKey
HEFBKNXOUJPILZ-OQKWZONESA-N
Compound name
methyl N'-[(E)-1-(4-decoxyphenyl)ethylideneamino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.23444 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.24172 193.0
[M+Na]+ 386.22366 194.9
[M-H]- 362.22716 196.9
[M+NH4]+ 381.26826 206.2
[M+K]+ 402.19760 190.7
[M+H-H2O]+ 346.23170 183.4
[M+HCOO]- 408.23264 212.2
[M+CH3COO]- 422.24829 228.4
[M+Na-2H]- 384.20911 190.6
[M]+ 363.23389 198.1
[M]- 363.23499 198.1
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.