CID 469044

N-[4-chloro-2-(propylcarbamoyl)phenyl]adamantane-1-carboxamide

Structural Information

Molecular Formula
C21H27ClN2O2
SMILES
CCCNC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C21H27ClN2O2/c1-2-5-23-19(25)17-9-16(22)3-4-18(17)24-20(26)21-10-13-6-14(11-21)8-15(7-13)12-21/h3-4,9,13-15H,2,5-8,10-12H2,1H3,(H,23,25)(H,24,26)
InChIKey
LRZDRJQIIVAXII-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(propylcarbamoyl)phenyl]adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.17612 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18340 186.9
[M+Na]+ 397.16534 187.4
[M-H]- 373.16884 184.1
[M+NH4]+ 392.20994 206.0
[M+K]+ 413.13928 182.3
[M+H-H2O]+ 357.17338 180.0
[M+HCOO]- 419.17432 189.0
[M+CH3COO]- 433.18997 192.4
[M+Na-2H]- 395.15079 193.6
[M]+ 374.17557 188.6
[M]- 374.17667 188.6
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

No patent data available for this compound.