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]+ 329.16823 177.6
[M+Na]+ 351.15017 183.5
[M-H]- 327.15367 183.3
[M+NH4]+ 346.19477 193.4
[M+K]+ 367.12411 178.3
[M+H-H2O]+ 311.15821 169.5
[M+HCOO]- 373.15915 193.5
[M+CH3COO]- 387.17480 187.7
[M+Na-2H]- 349.13562 178.0
[M]+ 328.16040 180.5
[M]- 328.16150 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.