CID 3074022

154662-54-1

Structural Information

Molecular Formula
C17H24N4O4S
SMILES
CCN(CC)CC(=O)NC1=NN=C(S1)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C17H24N4O4S/c1-6-21(7-2)10-14(22)18-17-20-19-16(26-17)11-8-12(23-3)15(25-5)13(9-11)24-4/h8-9H,6-7,10H2,1-5H3,(H,18,20,22)
InChIKey
HATHZAZUEKNMCJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.15182 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.15910 189.0
[M+Na]+ 403.14104 195.7
[M-H]- 379.14454 195.1
[M+NH4]+ 398.18564 200.9
[M+K]+ 419.11498 193.7
[M+H-H2O]+ 363.14908 179.6
[M+HCOO]- 425.15002 207.9
[M+CH3COO]- 439.16567 225.3
[M+Na-2H]- 401.12649 187.5
[M]+ 380.15127 198.8
[M]- 380.15237 198.8
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.