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
2
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]+ 351.066146 179.6
[M+Na]+ 373.048088 188.1
[M-H]- 349.051594 186.0
[M+NH4]+ 368.092693 193.9
[M+K]+ 389.022028 181.6
[M+H-H2O]+ 333.056130 173.5
[M+HCOO]- 395.057071 194.3
[M+CH3COO]- 409.072721 216.4
[M+Na-2H]- 371.033536 180.2
[M]+ 350.05832142 183.8
[M]- 350.05941858 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.