CID 652903

Brn 4258604

Structural Information

Molecular Formula
C11H18N4O2S
SMILES
CCCC1=NN=C(S1)NC(=O)CN2CCOCC2
InChI
InChI=1S/C11H18N4O2S/c1-2-3-10-13-14-11(18-10)12-9(16)8-15-4-6-17-7-5-15/h2-8H2,1H3,(H,12,14,16)
InChIKey
QHGQNVROJRSFMO-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.11505 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12233 161.0
[M+Na]+ 293.10427 166.5
[M-H]- 269.10777 163.8
[M+NH4]+ 288.14887 173.9
[M+K]+ 309.07821 164.8
[M+H-H2O]+ 253.11231 152.2
[M+HCOO]- 315.11325 173.9
[M+CH3COO]- 329.12890 195.4
[M+Na-2H]- 291.08972 161.3
[M]+ 270.11450 161.1
[M]- 270.11560 161.1
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.