CID 118575

5-chloro-2-methoxy-n-(2-phenylethyl)benzamide

Structural Information

Molecular Formula
C16H16ClNO2
SMILES
COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=CC=C2
InChI
InChI=1S/C16H16ClNO2/c1-20-15-8-7-13(17)11-14(15)16(19)18-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKey
MTPTUMXFGUUUSZ-UHFFFAOYSA-N
Compound name
5-chloro-2-methoxy-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

289.08694 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09422 165.4
[M+Na]+ 312.07616 172.9
[M-H]- 288.07966 171.9
[M+NH4]+ 307.12076 181.5
[M+K]+ 328.05010 167.7
[M+H-H2O]+ 272.08420 158.2
[M+HCOO]- 334.08514 185.2
[M+CH3COO]- 348.10079 202.3
[M+Na-2H]- 310.06161 169.5
[M]+ 289.08639 168.9
[M]- 289.08749 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe