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 190.2
[M+Na]+ 403.14104 199.2
[M+NH4]+ 398.18564 195.0
[M+K]+ 419.11498 194.6
[M-H]- 379.14454 192.2
[M+Na-2H]- 401.12649 194.2
[M]+ 380.15127 192.1
[M]- 380.15237 192.1
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.