CID 52297

4-((6-(diethylamino)hexyl)amino)-6-methoxybenzothiazole oxalate

Structural Information

Molecular Formula
C18H29N3OS
SMILES
CCN(CC)CCCCCCNC1=C2C(=CC(=C1)OC)SC=N2
InChI
InChI=1S/C18H29N3OS/c1-4-21(5-2)11-9-7-6-8-10-19-16-12-15(22-3)13-17-18(16)20-14-23-17/h12-14,19H,4-11H2,1-3H3
InChIKey
FFQYHMRTTIDFIL-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(6-methoxy-1,3-benzothiazol-4-yl)hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

335.20312 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.21040 181.0
[M+Na]+ 358.19234 187.3
[M-H]- 334.19584 185.1
[M+NH4]+ 353.23694 197.5
[M+K]+ 374.16628 183.3
[M+H-H2O]+ 318.20038 172.6
[M+HCOO]- 380.20132 200.9
[M+CH3COO]- 394.21697 219.0
[M+Na-2H]- 356.17779 182.3
[M]+ 335.20257 189.9
[M]- 335.20367 189.9
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.