CID 215249

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

Structural Information

Molecular Formula
C14H19N3O3S
SMILES
CCCNC1=NN=C(S1)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C14H19N3O3S/c1-5-6-15-14-17-16-13(21-14)9-7-10(18-2)12(20-4)11(8-9)19-3/h7-8H,5-6H2,1-4H3,(H,15,17)
InChIKey
AFYJNRSBGAYFMH-UHFFFAOYSA-N
Compound name
N-propyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.11472 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12200 169.5
[M+Na]+ 332.10394 178.8
[M-H]- 308.10744 174.6
[M+NH4]+ 327.14854 184.4
[M+K]+ 348.07788 175.4
[M+H-H2O]+ 292.11198 161.2
[M+HCOO]- 354.11292 188.7
[M+CH3COO]- 368.12857 206.5
[M+Na-2H]- 330.08939 170.0
[M]+ 309.11417 177.8
[M]- 309.11527 177.8
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.