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]+ 335.15364 179.1
[M+Na]+ 357.13558 185.2
[M-H]- 333.13908 183.8
[M+NH4]+ 352.18018 194.9
[M+K]+ 373.10952 182.2
[M+H-H2O]+ 317.14362 171.0
[M+HCOO]- 379.14456 199.0
[M+CH3COO]- 393.16021 218.5
[M+Na-2H]- 355.12103 180.2
[M]+ 334.14581 185.1
[M]- 334.14691 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.