CID 401146

Nsc714092

Structural Information

Molecular Formula
C20H25ClN2O2
SMILES
CCNC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C20H25ClN2O2/c1-2-22-18(24)16-8-15(21)3-4-17(16)23-19(25)20-9-12-5-13(10-20)7-14(6-12)11-20/h3-4,8,12-14H,2,5-7,9-11H2,1H3,(H,22,24)(H,23,25)
InChIKey
ORRDAFUMEGFPHE-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(ethylcarbamoyl)phenyl]adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.16046 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16774 182.5
[M+Na]+ 383.14968 183.4
[M-H]- 359.15318 179.9
[M+NH4]+ 378.19428 202.1
[M+K]+ 399.12362 178.5
[M+H-H2O]+ 343.15772 175.7
[M+HCOO]- 405.15866 184.9
[M+CH3COO]- 419.17431 188.5
[M+Na-2H]- 381.13513 189.7
[M]+ 360.15991 183.9
[M]- 360.16101 183.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.