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 161.1
[M+Na]+ 304.07262 171.4
[M-H]- 280.07612 166.1
[M+NH4]+ 299.11722 177.0
[M+K]+ 320.04656 168.1
[M+H-H2O]+ 264.08066 153.3
[M+HCOO]- 326.08160 180.3
[M+CH3COO]- 340.09725 200.1
[M+Na-2H]- 302.05807 161.5
[M]+ 281.08285 167.7
[M]- 281.08395 167.7
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.