CID 214275

5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C11H13N3O3S
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN=C(S2)N
InChI
InChI=1S/C11H13N3O3S/c1-15-7-4-6(10-13-14-11(12)18-10)5-8(16-2)9(7)17-3/h4-5H,1-3H3,(H2,12,14)
InChIKey
DJSKNOBOTVECTH-UHFFFAOYSA-N
Compound name
5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8
Patents

267.06775 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.075026 156.8
[M+Na]+ 290.056968 167.5
[M-H]- 266.060474 162.0
[M+NH4]+ 285.101573 173.2
[M+K]+ 306.030908 164.4
[M+H-H2O]+ 250.065010 149.1
[M+HCOO]- 312.065951 176.3
[M+CH3COO]- 326.081601 197.1
[M+Na-2H]- 288.042416 157.7
[M]+ 267.06720142 163.1
[M]- 267.06829858 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe