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

58
Patents

242.07251 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07979 151.6
[M+Na]+ 265.06173 159.2
[M-H]- 241.06523 155.3
[M+NH4]+ 260.10633 169.2
[M+K]+ 281.03567 156.8
[M+H-H2O]+ 225.06977 144.8
[M+HCOO]- 287.07071 171.4
[M+CH3COO]- 301.08636 196.4
[M+Na-2H]- 263.04718 152.7
[M]+ 242.07196 155.3
[M]- 242.07306 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