CID 55538

86745-99-5

Structural Information

Molecular Formula
C16H25BrN2O2
SMILES
CCN(CC)CCNC(=O)COC1=CC(=C(C(=C1)C)Br)C
InChI
InChI=1S/C16H25BrN2O2/c1-5-19(6-2)8-7-18-15(20)11-21-14-9-12(3)16(17)13(4)10-14/h9-10H,5-8,11H2,1-4H3,(H,18,20)
InChIKey
VOBNFDFCUPDERW-UHFFFAOYSA-N
Compound name
2-(4-bromo-3,5-dimethylphenoxy)-N-[2-(diethylamino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.10995 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11723 178.4
[M+Na]+ 379.09917 186.7
[M-H]- 355.10267 185.2
[M+NH4]+ 374.14377 195.4
[M+K]+ 395.07311 175.7
[M+H-H2O]+ 339.10721 175.4
[M+HCOO]- 401.10815 199.8
[M+CH3COO]- 415.12380 220.4
[M+Na-2H]- 377.08462 180.1
[M]+ 356.10940 201.0
[M]- 356.11050 201.0
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

patents stripe