CID 216032

1,2-ethanediamine, n-(2,3-dihydro-1-benzothiepin-5-yl)-n',n'-dimethyl-n-hydroxy-, monohydrochloride

Structural Information

Molecular Formula
C14H20N2OS
SMILES
CN(C)CCN(C1=CCCSC2=CC=CC=C12)O
InChI
InChI=1S/C14H20N2OS/c1-15(2)9-10-16(17)13-7-5-11-18-14-8-4-3-6-12(13)14/h3-4,6-8,17H,5,9-11H2,1-2H3
InChIKey
NPBKATGMBQJATJ-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1-benzothiepin-5-yl)-N-[2-(dimethylamino)ethyl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.12964 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13692 158.4
[M+Na]+ 287.11886 161.2
[M-H]- 263.12236 164.5
[M+NH4]+ 282.16346 175.2
[M+K]+ 303.09280 164.2
[M+H-H2O]+ 247.12690 152.2
[M+HCOO]- 309.12784 175.4
[M+CH3COO]- 323.14349 205.4
[M+Na-2H]- 285.10431 161.3
[M]+ 264.12909 157.3
[M]- 264.13019 157.3
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.