CID 23649367

94113-56-1

Structural Information

Molecular Formula
C17H18BrNO
SMILES
CN(C)CCC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C17H18BrNO/c1-19(2)12-11-17(20)15-5-3-13(4-6-15)14-7-9-16(18)10-8-14/h3-10H,11-12H2,1-2H3
InChIKey
ZGBXKCDIXNVJQB-UHFFFAOYSA-N
Compound name
1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

331.0572 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.064476 170.7
[M+Na]+ 354.046418 179.8
[M-H]- 330.049924 180.7
[M+NH4]+ 349.091023 188.5
[M+K]+ 370.020358 168.5
[M+H-H2O]+ 314.054460 168.6
[M+HCOO]- 376.055401 192.2
[M+CH3COO]- 390.071051 212.0
[M+Na-2H]- 352.031866 174.8
[M]+ 331.05665142 190.6
[M]- 331.05774858 190.6
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

patents stripe