CID 3325363

N-(adamantan-1-yl)-2-chloro-n-[(4-chlorophenyl)methyl]acetamide

Structural Information

Molecular Formula
C19H23Cl2NO
SMILES
C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)Cl)C(=O)CCl
InChI
InChI=1S/C19H23Cl2NO/c20-11-18(23)22(12-13-1-3-17(21)4-2-13)19-8-14-5-15(9-19)7-16(6-14)10-19/h1-4,14-16H,5-12H2
InChIKey
DMGBYGFIWPCXKF-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2-chloro-N-[(4-chlorophenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.11566 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.12294 180.7
[M+Na]+ 374.10488 182.8
[M-H]- 350.10838 179.0
[M+NH4]+ 369.14948 201.8
[M+K]+ 390.07882 177.1
[M+H-H2O]+ 334.11292 174.1
[M+HCOO]- 396.11386 179.2
[M+CH3COO]- 410.12951 187.2
[M+Na-2H]- 372.09033 187.2
[M]+ 351.11511 184.1
[M]- 351.11621 184.1
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.