CID 150346

Ccris 5794

Structural Information

Molecular Formula
C17H16Cl2N2O2
SMILES
CC(=O)NC1=C(C=C(C=C1)CC2=CC(=C(C=C2)NC(=O)C)Cl)Cl
InChI
InChI=1S/C17H16Cl2N2O2/c1-10(22)20-16-5-3-12(8-14(16)18)7-13-4-6-17(15(19)9-13)21-11(2)23/h3-6,8-9H,7H2,1-2H3,(H,20,22)(H,21,23)
InChIKey
ULXWIWCUCFCRSI-UHFFFAOYSA-N
Compound name
N-[4-[(4-acetamido-3-chlorophenyl)methyl]-2-chlorophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.05887 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.06615 179.6
[M+Na]+ 373.04809 188.1
[M-H]- 349.05159 186.0
[M+NH4]+ 368.09269 193.9
[M+K]+ 389.02203 181.6
[M+H-H2O]+ 333.05613 173.5
[M+HCOO]- 395.05707 194.3
[M+CH3COO]- 409.07272 216.4
[M+Na-2H]- 371.03354 180.2
[M]+ 350.05832 183.8
[M]- 350.05942 183.8
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.