CID 1957018

Ethanediamide, n-(2-(diethylamino)ethyl)-n'-(6-methoxy-2-benzothiazolyl)-

Structural Information

Molecular Formula
C16H22N4O3S
SMILES
CCN(CC)CCNC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)OC
InChI
InChI=1S/C16H22N4O3S/c1-4-20(5-2)9-8-17-14(21)15(22)19-16-18-12-7-6-11(23-3)10-13(12)24-16/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,21)(H,18,19,22)
InChIKey
OLJCZTUUCVWUJZ-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-N'-(6-methoxy-1,3-benzothiazol-2-yl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.14127 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14855 181.8
[M+Na]+ 373.13049 187.5
[M-H]- 349.13399 186.4
[M+NH4]+ 368.17509 196.8
[M+K]+ 389.10443 185.2
[M+H-H2O]+ 333.13853 173.5
[M+HCOO]- 395.13947 201.9
[M+CH3COO]- 409.15512 220.6
[M+Na-2H]- 371.11594 183.2
[M]+ 350.14072 189.1
[M]- 350.14182 189.1
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.