CID 45050943

3-chloro-n-(2-isopropylphenyl)-4-methoxybenzamide

Structural Information

Molecular Formula
C17H18ClNO2
SMILES
CC(C)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)Cl
InChI
InChI=1S/C17H18ClNO2/c1-11(2)13-6-4-5-7-15(13)19-17(20)12-8-9-16(21-3)14(18)10-12/h4-11H,1-3H3,(H,19,20)
InChIKey
KMOBQZILTRZGCO-UHFFFAOYSA-N
Compound name
3-chloro-4-methoxy-N-(2-propan-2-ylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1026 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.109876 169.5
[M+Na]+ 326.091818 177.2
[M-H]- 302.095324 176.4
[M+NH4]+ 321.136423 185.3
[M+K]+ 342.065758 172.4
[M+H-H2O]+ 286.099860 162.6
[M+HCOO]- 348.100801 188.0
[M+CH3COO]- 362.116451 207.4
[M+Na-2H]- 324.077266 171.3
[M]+ 303.10205142 173.3
[M]- 303.10314858 173.3
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.