CID 3025602

104388-98-9

Structural Information

Molecular Formula
C16H22N4O2S
SMILES
CCN(CC)CCNC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)C
InChI
InChI=1S/C16H22N4O2S/c1-4-20(5-2)9-8-17-14(21)15(22)19-16-18-12-7-6-11(3)10-13(12)23-16/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,21)(H,18,19,22)
InChIKey
HDHOEVUTYXBACU-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-N'-(6-methyl-1,3-benzothiazol-2-yl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.14636 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.153636 179.1
[M+Na]+ 357.135578 185.2
[M-H]- 333.139084 183.8
[M+NH4]+ 352.180183 194.9
[M+K]+ 373.109518 182.2
[M+H-H2O]+ 317.143620 171.0
[M+HCOO]- 379.144561 199.0
[M+CH3COO]- 393.160211 218.5
[M+Na-2H]- 355.121026 180.2
[M]+ 334.14581142 185.1
[M]- 334.14690858 185.1
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.