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]+ 304.109876 169.9
[M+Na]+ 326.091818 177.0
[M-H]- 302.095324 175.3
[M+NH4]+ 321.136423 185.0
[M+K]+ 342.065758 171.3
[M+H-H2O]+ 286.099860 163.6
[M+HCOO]- 348.100801 186.4
[M+CH3COO]- 362.116451 203.2
[M+Na-2H]- 324.077266 174.0
[M]+ 303.10205142 171.6
[M]- 303.10314858 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