CID 3022024

Brn 2739497

Structural Information

Molecular Formula
C15H23BrN2O
SMILES
CCC1=CC(=C(C=C1)Br)NC(=O)CCN(CC)CC
InChI
InChI=1S/C15H23BrN2O/c1-4-12-7-8-13(16)14(11-12)17-15(19)9-10-18(5-2)6-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKey
PKWPLFBAUAHRPV-UHFFFAOYSA-N
Compound name
N-(2-bromo-5-ethylphenyl)-3-(diethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.09937 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10665 171.9
[M+Na]+ 349.08859 179.9
[M-H]- 325.09209 178.5
[M+NH4]+ 344.13319 189.9
[M+K]+ 365.06253 168.6
[M+H-H2O]+ 309.09663 169.2
[M+HCOO]- 371.09757 193.4
[M+CH3COO]- 385.11322 214.6
[M+Na-2H]- 347.07404 174.7
[M]+ 326.09882 192.5
[M]- 326.09992 192.5
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.