CID 3087900

Urea, n-phenyl-n'-(5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-

Structural Information

Molecular Formula
C18H18N4O4S
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN=C(S2)NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C18H18N4O4S/c1-24-13-9-11(10-14(25-2)15(13)26-3)16-21-22-18(27-16)20-17(23)19-12-7-5-4-6-8-12/h4-10H,1-3H3,(H2,19,20,22,23)
InChIKey
ZWVZVPBZAMZSGX-UHFFFAOYSA-N
Compound name
1-phenyl-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1049 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.11218 187.7
[M+Na]+ 409.09412 195.3
[M-H]- 385.09762 196.0
[M+NH4]+ 404.13872 198.3
[M+K]+ 425.06806 191.2
[M+H-H2O]+ 369.10216 177.9
[M+HCOO]- 431.10310 207.3
[M+CH3COO]- 445.11875 220.5
[M+Na-2H]- 407.07957 188.9
[M]+ 386.10435 194.0
[M]- 386.10545 194.0
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.