CID 22353704

N-(4-{[(4-bromophenyl)methyl]amino}phenyl)acetamide

Structural Information

Molecular Formula
C15H15BrN2O
SMILES
CC(=O)NC1=CC=C(C=C1)NCC2=CC=C(C=C2)Br
InChI
InChI=1S/C15H15BrN2O/c1-11(19)18-15-8-6-14(7-9-15)17-10-12-2-4-13(16)5-3-12/h2-9,17H,10H2,1H3,(H,18,19)
InChIKey
BGMOMMDRSYTTAZ-UHFFFAOYSA-N
Compound name
N-[4-[(4-bromophenyl)methylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.03677 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.04405 165.2
[M+Na]+ 341.02599 174.0
[M-H]- 317.02949 173.9
[M+NH4]+ 336.07059 182.4
[M+K]+ 356.99993 161.4
[M+H-H2O]+ 301.03403 162.7
[M+HCOO]- 363.03497 187.7
[M+CH3COO]- 377.05062 207.3
[M+Na-2H]- 339.01144 171.3
[M]+ 318.03622 182.4
[M]- 318.03732 182.4
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.