CID 204710

Wv 834

Structural Information

Molecular Formula
C16H25BrClNO
SMILES
CCN(CCOC1=C(C=C(C(=C1)C)Br)C(C)C)CCCl
InChI
InChI=1S/C16H25BrClNO/c1-5-19(7-6-18)8-9-20-16-10-13(4)15(17)11-14(16)12(2)3/h10-12H,5-9H2,1-4H3
InChIKey
QDQDRMJDDLDBTP-UHFFFAOYSA-N
Compound name
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(2-chloroethyl)-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.0808 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.08808 178.5
[M+Na]+ 384.07002 188.8
[M-H]- 360.07352 185.4
[M+NH4]+ 379.11462 196.9
[M+K]+ 400.04396 175.9
[M+H-H2O]+ 344.07806 177.6
[M+HCOO]- 406.07900 194.4
[M+CH3COO]- 420.09465 218.6
[M+Na-2H]- 382.05547 179.7
[M]+ 361.08025 203.4
[M]- 361.08135 203.4
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.