CID 56377

Brn 2735164

Structural Information

Molecular Formula
C14H21BrN2O
SMILES
CCC1=CC(=C(C=C1)Br)NC(=O)CN(CC)CC
InChI
InChI=1S/C14H21BrN2O/c1-4-11-7-8-12(15)13(9-11)16-14(18)10-17(5-2)6-3/h7-9H,4-6,10H2,1-3H3,(H,16,18)
InChIKey
TVBYAPNHPNCFAT-UHFFFAOYSA-N
Compound name
N-(2-bromo-5-ethylphenyl)-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.08374 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09102 167.3
[M+Na]+ 335.07296 175.7
[M-H]- 311.07646 174.1
[M+NH4]+ 330.11756 185.8
[M+K]+ 351.04690 164.6
[M+H-H2O]+ 295.08100 164.8
[M+HCOO]- 357.08194 189.1
[M+CH3COO]- 371.09759 211.8
[M+Na-2H]- 333.05841 170.7
[M]+ 312.08319 187.6
[M]- 312.08429 187.6
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.