CID 3490298

1-(2,5-dimethoxyphenyl)-3-propyl-2-thiourea

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
CCCNC(=S)NC1=C(C=CC(=C1)OC)OC
InChI
InChI=1S/C12H18N2O2S/c1-4-7-13-12(17)14-10-8-9(15-2)5-6-11(10)16-3/h5-6,8H,4,7H2,1-3H3,(H2,13,14,17)
InChIKey
CIHQGCMTNXGTCT-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxyphenyl)-3-propylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

254.1089 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11618 157.4
[M+Na]+ 277.09812 163.5
[M-H]- 253.10162 160.9
[M+NH4]+ 272.14272 174.7
[M+K]+ 293.07206 160.4
[M+H-H2O]+ 237.10616 150.2
[M+HCOO]- 299.10710 177.0
[M+CH3COO]- 313.12275 199.0
[M+Na-2H]- 275.08357 159.1
[M]+ 254.10835 161.0
[M]- 254.10945 161.0
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

patents stripe