CID 204700

Wv 807

Structural Information

Molecular Formula
C16H26INO
SMILES
CCN(CCOC1=C(C=CC(=C1)C)C(C)C)CCI
InChI
InChI=1S/C16H26INO/c1-5-18(9-8-17)10-11-19-16-12-14(4)6-7-15(16)13(2)3/h6-7,12-13H,5,8-11H2,1-4H3
InChIKey
HWWIBHASAYSMAS-UHFFFAOYSA-N
Compound name
N-ethyl-N-(2-iodoethyl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1059 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.11318 180.3
[M+Na]+ 398.09512 178.2
[M-H]- 374.09862 177.3
[M+NH4]+ 393.13972 192.5
[M+K]+ 414.06906 182.4
[M+H-H2O]+ 358.10316 169.1
[M+HCOO]- 420.10410 197.5
[M+CH3COO]- 434.11975 215.6
[M+Na-2H]- 396.08057 168.6
[M]+ 375.10535 181.8
[M]- 375.10645 181.8
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.