CID 3068784

Brn 5979993

Structural Information

Molecular Formula
C12H15N3O3S
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN=C(S2)N)OC
InChI
InChI=1S/C12H15N3O3S/c1-4-18-10-8(16-2)5-7(6-9(10)17-3)11-14-15-12(13)19-11/h5-6H,4H2,1-3H3,(H2,13,15)
InChIKey
KKRJOILETWMJOS-UHFFFAOYSA-N
Compound name
5-(4-ethoxy-3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0834 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09068 163.2
[M+Na]+ 304.07262 174.9
[M+NH4]+ 299.11722 170.1
[M+K]+ 320.04656 169.4
[M-H]- 280.07612 165.7
[M+Na-2H]- 302.05807 168.6
[M]+ 281.08285 165.9
[M]- 281.08395 165.9
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.