CID 3035115

63980-68-7

Structural Information

Molecular Formula
C17H20N2O2S
SMILES
CC1=CC(=C(C=C1)OC)NC(=S)NC2=C(C=C(C=C2)C)OC
InChI
InChI=1S/C17H20N2O2S/c1-11-6-8-15(20-3)14(9-11)19-17(22)18-13-7-5-12(2)10-16(13)21-4/h5-10H,1-4H3,(H2,18,19,22)
InChIKey
OGDPRTUTXQONQP-UHFFFAOYSA-N
Compound name
1-(2-methoxy-4-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.12454 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13182 173.6
[M+Na]+ 339.11376 180.8
[M-H]- 315.11726 180.8
[M+NH4]+ 334.15836 188.6
[M+K]+ 355.08770 176.1
[M+H-H2O]+ 299.12180 165.5
[M+HCOO]- 361.12274 193.2
[M+CH3COO]- 375.13839 212.1
[M+Na-2H]- 337.09921 174.4
[M]+ 316.12399 177.4
[M]- 316.12509 177.4
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.