CID 3006708

2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenoxy]-n,n-diethyl-ethanamine

Structural Information

Molecular Formula
C19H24N2OS
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C2NC3=CC=CC=C3S2
InChI
InChI=1S/C19H24N2OS/c1-3-21(4-2)13-14-22-16-11-9-15(10-12-16)19-20-17-7-5-6-8-18(17)23-19/h5-12,19-20H,3-4,13-14H2,1-2H3
InChIKey
IAJIRDZTLQHGDR-UHFFFAOYSA-N
Compound name
2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.16095 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.168226 177.6
[M+Na]+ 351.150168 183.5
[M-H]- 327.153674 183.3
[M+NH4]+ 346.194773 193.4
[M+K]+ 367.124108 178.3
[M+H-H2O]+ 311.158210 169.5
[M+HCOO]- 373.159151 193.5
[M+CH3COO]- 387.174801 187.7
[M+Na-2H]- 349.135616 178.0
[M]+ 328.16040142 180.5
[M]- 328.16149858 180.5
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

No patent data available for this compound.