CID 204836

2',6'-propionoxylidide, 4'-bromo-3-(diethylamino)-

Structural Information

Molecular Formula
C15H23BrN2O
SMILES
CCN(CC)CCC(=O)NC1=C(C=C(C=C1C)Br)C
InChI
InChI=1S/C15H23BrN2O/c1-5-18(6-2)8-7-14(19)17-15-11(3)9-13(16)10-12(15)4/h9-10H,5-8H2,1-4H3,(H,17,19)
InChIKey
XJTIQIKCPWCBNO-UHFFFAOYSA-N
Compound name
N-(4-bromo-2,6-dimethylphenyl)-3-(diethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.09937 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10665 171.3
[M+Na]+ 349.08859 180.2
[M-H]- 325.09209 178.3
[M+NH4]+ 344.13319 189.6
[M+K]+ 365.06253 168.9
[M+H-H2O]+ 309.09663 168.8
[M+HCOO]- 371.09757 192.8
[M+CH3COO]- 385.11322 215.7
[M+Na-2H]- 347.07404 173.5
[M]+ 326.09882 192.3
[M]- 326.09992 192.3
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.