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]+ 317.131816 173.6
[M+Na]+ 339.113758 180.8
[M-H]- 315.117264 180.8
[M+NH4]+ 334.158363 188.6
[M+K]+ 355.087698 176.1
[M+H-H2O]+ 299.121800 165.5
[M+HCOO]- 361.122741 193.2
[M+CH3COO]- 375.138391 212.1
[M+Na-2H]- 337.099206 174.4
[M]+ 316.12399142 177.4
[M]- 316.12508858 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.