CID 3053685

2-(diethylamino)-n-(3-methyl-2-benzothiazolinylidene)acetamide hydrochloride

Structural Information

Molecular Formula
C14H19N3OS
SMILES
CCN(CC)CC(=O)N=C1N(C2=CC=CC=C2S1)C
InChI
InChI=1S/C14H19N3OS/c1-4-17(5-2)10-13(18)15-14-16(3)11-8-6-7-9-12(11)19-14/h6-9H,4-5,10H2,1-3H3
InChIKey
GPNNDEVBMSHMOJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.12488 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13216 163.9
[M+Na]+ 300.11410 172.9
[M-H]- 276.11760 170.5
[M+NH4]+ 295.15870 183.5
[M+K]+ 316.08804 170.0
[M+H-H2O]+ 260.12214 156.3
[M+HCOO]- 322.12308 185.9
[M+CH3COO]- 336.13873 207.7
[M+Na-2H]- 298.09955 166.3
[M]+ 277.12433 171.2
[M]- 277.12543 171.2
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.