CID 3025603

N-(6-bromo-2-benzothiazolyl)-n'-(2-(diethylamino)ethyl)ethanediamide

Structural Information

Molecular Formula
C15H19BrN4O2S
SMILES
CCN(CC)CCNC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)Br
InChI
InChI=1S/C15H19BrN4O2S/c1-3-20(4-2)8-7-17-13(21)14(22)19-15-18-11-6-5-10(16)9-12(11)23-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,21)(H,18,19,22)
InChIKey
IEBKTXLHFAXMMB-UHFFFAOYSA-N
Compound name
N'-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.0412 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.04848 176.4
[M+Na]+ 421.03042 185.8
[M-H]- 397.03392 183.4
[M+NH4]+ 416.07502 193.3
[M+K]+ 437.00436 173.8
[M+H-H2O]+ 381.03846 173.5
[M+HCOO]- 443.03940 194.2
[M+CH3COO]- 457.05505 223.0
[M+Na-2H]- 419.01587 179.7
[M]+ 398.04065 199.9
[M]- 398.04175 199.9
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.