CID 4165818

2-(2-(4-chlorophenyl)-2-hydroxypropyl)-n-methylbenzamide

Structural Information

Molecular Formula
C17H18ClNO2
SMILES
CC(CC1=CC=CC=C1C(=O)NC)(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C17H18ClNO2/c1-17(21,13-7-9-14(18)10-8-13)11-12-5-3-4-6-15(12)16(20)19-2/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKey
RORNSAGDKFJVNK-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)-2-hydroxypropyl]-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1026 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10988 169.9
[M+Na]+ 326.09182 177.0
[M-H]- 302.09532 175.3
[M+NH4]+ 321.13642 185.0
[M+K]+ 342.06576 171.3
[M+H-H2O]+ 286.09986 163.6
[M+HCOO]- 348.10080 186.4
[M+CH3COO]- 362.11645 203.2
[M+Na-2H]- 324.07727 174.0
[M]+ 303.10205 171.6
[M]- 303.10315 171.6
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

patents stripe