CID 454882

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

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CCCNC(=O)C1=C(C=CC(=C1)C)NC(=O)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C22H30N2O2/c1-3-6-23-20(25)18-7-14(2)4-5-19(18)24-21(26)22-11-15-8-16(12-22)10-17(9-15)13-22/h4-5,7,15-17H,3,6,8-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKey
OYDXTYXBTWKNEJ-UHFFFAOYSA-N
Compound name
N-[4-methyl-2-(propylcarbamoyl)phenyl]adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.23074 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.23802 184.2
[M+Na]+ 377.21996 183.2
[M-H]- 353.22346 181.2
[M+NH4]+ 372.26456 203.0
[M+K]+ 393.19390 179.3
[M+H-H2O]+ 337.22800 175.9
[M+HCOO]- 399.22894 189.9
[M+CH3COO]- 413.24459 189.6
[M+Na-2H]- 375.20541 190.8
[M]+ 354.23019 183.7
[M]- 354.23129 183.7
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.