CID 3002044

1-(4-butoxyphenyl)-3-[4-(dimethylaminooxy)phenyl]thiourea

Structural Information

Molecular Formula
C19H25N3O2S
SMILES
CCCCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)ON(C)C
InChI
InChI=1S/C19H25N3O2S/c1-4-5-14-23-17-10-6-15(7-11-17)20-19(25)21-16-8-12-18(13-9-16)24-22(2)3/h6-13H,4-5,14H2,1-3H3,(H2,20,21,25)
InChIKey
UEUIEYHHMDFUMO-UHFFFAOYSA-N
Compound name
1-(4-butoxyphenyl)-3-[4-(dimethylaminooxy)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.16675 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17403 186.0
[M+Na]+ 382.15597 189.7
[M-H]- 358.15947 193.2
[M+NH4]+ 377.20057 198.7
[M+K]+ 398.12991 185.9
[M+H-H2O]+ 342.16401 176.4
[M+HCOO]- 404.16495 206.4
[M+CH3COO]- 418.18060 224.0
[M+Na-2H]- 380.14142 187.2
[M]+ 359.16620 190.1
[M]- 359.16730 190.1
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.