CID 24212675

N-(2-bromophenyl)-3-(3-chloro-4-methoxyphenyl)propanamide

Structural Information

Molecular Formula
C16H15BrClNO2
SMILES
COC1=C(C=C(C=C1)CCC(=O)NC2=CC=CC=C2Br)Cl
InChI
InChI=1S/C16H15BrClNO2/c1-21-15-8-6-11(10-13(15)18)7-9-16(20)19-14-5-3-2-4-12(14)17/h2-6,8,10H,7,9H2,1H3,(H,19,20)
InChIKey
VLWLOVIZMQDVRB-UHFFFAOYSA-N
Compound name
N-(2-bromophenyl)-3-(3-chloro-4-methoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.99747 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.00475 174.2
[M+Na]+ 389.98669 185.3
[M-H]- 365.99019 183.2
[M+NH4]+ 385.03129 191.2
[M+K]+ 405.96063 171.6
[M+H-H2O]+ 349.99473 173.0
[M+HCOO]- 411.99567 191.4
[M+CH3COO]- 426.01132 211.8
[M+Na-2H]- 387.97214 178.6
[M]+ 366.99692 196.4
[M]- 366.99802 196.4
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.