CID 8708

Diamthazole

Structural Information

Molecular Formula
C15H23N3OS
SMILES
CCN(CC)CCOC1=CC2=C(C=C1)N=C(S2)N(C)C
InChI
InChI=1S/C15H23N3OS/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKey
WGMYEOIMVYADRJ-UHFFFAOYSA-N
Compound name
6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

21
References

1480
Patents

293.1562 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.16348 169.1
[M+Na]+ 316.14542 176.9
[M-H]- 292.14892 175.3
[M+NH4]+ 311.19002 187.9
[M+K]+ 332.11936 175.0
[M+H-H2O]+ 276.15346 161.1
[M+HCOO]- 338.15440 190.4
[M+CH3COO]- 352.17005 213.6
[M+Na-2H]- 314.13087 171.1
[M]+ 293.15565 178.3
[M]- 293.15675 178.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe