CID 53934

77966-70-2

Structural Information

Molecular Formula
C13H18Br2N2O
SMILES
CCN(CC)CC(=O)NC1=C(C=C(C=C1Br)C)Br
InChI
InChI=1S/C13H18Br2N2O/c1-4-17(5-2)8-12(18)16-13-10(14)6-9(3)7-11(13)15/h6-7H,4-5,8H2,1-3H3,(H,16,18)
InChIKey
SCQOKPUURSPEQZ-UHFFFAOYSA-N
Compound name
N-(2,6-dibromo-4-methylphenyl)-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.97858 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.98586 163.8
[M+Na]+ 398.96780 172.4
[M-H]- 374.97130 170.9
[M+NH4]+ 394.01240 180.4
[M+K]+ 414.94174 156.3
[M+H-H2O]+ 358.97584 168.7
[M+HCOO]- 420.97678 180.1
[M+CH3COO]- 434.99243 222.6
[M+Na-2H]- 396.95325 166.9
[M]+ 375.97803 198.6
[M]- 375.97913 198.6
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.