CID 3074040

154663-24-8

Structural Information

Molecular Formula
C18H26N4O4S
SMILES
CCN(CC)CCC(=O)NC1=NN=C(S1)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C18H26N4O4S/c1-6-22(7-2)9-8-15(23)19-18-21-20-17(27-18)12-10-13(24-3)16(26-5)14(11-12)25-4/h10-11H,6-9H2,1-5H3,(H,19,21,23)
InChIKey
VNXPMMRVEFSOKE-UHFFFAOYSA-N
Compound name
3-(diethylamino)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.16748 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.17476 193.3
[M+Na]+ 417.15670 199.5
[M-H]- 393.16020 199.2
[M+NH4]+ 412.20130 204.6
[M+K]+ 433.13064 197.3
[M+H-H2O]+ 377.16474 183.7
[M+HCOO]- 439.16568 211.8
[M+CH3COO]- 453.18133 228.2
[M+Na-2H]- 415.14215 191.3
[M]+ 394.16693 203.4
[M]- 394.16803 203.4
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.