CID 3025601

N-2-benzothiazolyl-n'-(2-(diethylamino)ethyl)ethanediamide

Structural Information

Molecular Formula
C15H20N4O2S
SMILES
CCN(CC)CCNC(=O)C(=O)NC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C15H20N4O2S/c1-3-19(4-2)10-9-16-13(20)14(21)18-15-17-11-7-5-6-8-12(11)22-15/h5-8H,3-4,9-10H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKey
BYPBQSMJAZZOOD-UHFFFAOYSA-N
Compound name
N'-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1307 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13798 174.3
[M+Na]+ 343.11992 179.9
[M-H]- 319.12342 178.8
[M+NH4]+ 338.16452 190.4
[M+K]+ 359.09386 177.1
[M+H-H2O]+ 303.12796 166.0
[M+HCOO]- 365.12890 194.6
[M+CH3COO]- 379.14455 214.3
[M+Na-2H]- 341.10537 176.6
[M]+ 320.13015 179.5
[M]- 320.13125 179.5
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.