CID 45051400

N-(4-butylphenyl)-2-chloro-3-methoxybenzamide

Structural Information

Molecular Formula
C18H20ClNO2
SMILES
CCCCC1=CC=C(C=C1)NC(=O)C2=C(C(=CC=C2)OC)Cl
InChI
InChI=1S/C18H20ClNO2/c1-3-4-6-13-9-11-14(12-10-13)20-18(21)15-7-5-8-16(22-2)17(15)19/h5,7-12H,3-4,6H2,1-2H3,(H,20,21)
InChIKey
FBNQZVIHHUBHHP-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-2-chloro-3-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.11826 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12554 174.5
[M+Na]+ 340.10748 182.1
[M-H]- 316.11098 181.0
[M+NH4]+ 335.15208 189.8
[M+K]+ 356.08142 176.4
[M+H-H2O]+ 300.11552 167.1
[M+HCOO]- 362.11646 193.6
[M+CH3COO]- 376.13211 209.4
[M+Na-2H]- 338.09293 176.8
[M]+ 317.11771 179.2
[M]- 317.11881 179.2
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.