CID 2760811

N-(3,4,5-trimethoxyphenyl)thiourea

Structural Information

Molecular Formula
C10H14N2O3S
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=S)N
InChI
InChI=1S/C10H14N2O3S/c1-13-7-4-6(12-10(11)16)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H3,11,12,16)
InChIKey
ZHVXETDHOROSGO-UHFFFAOYSA-N
Compound name
(3,4,5-trimethoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

242.07251 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.079786 151.6
[M+Na]+ 265.061728 159.2
[M-H]- 241.065234 155.3
[M+NH4]+ 260.106333 169.2
[M+K]+ 281.035668 156.8
[M+H-H2O]+ 225.069770 144.8
[M+HCOO]- 287.070711 171.4
[M+CH3COO]- 301.086361 196.4
[M+Na-2H]- 263.047176 152.7
[M]+ 242.07196142 155.3
[M]- 242.07305858 155.3
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

patents stripe