CID 331251

N-(4-fluorophenyl)adamantane-1-carboxamide

Structural Information

Molecular Formula
C17H20FNO
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)F
InChI
InChI=1S/C17H20FNO/c18-14-1-3-15(4-2-14)19-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20)
InChIKey
TTZQRXNXZRWGHT-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

273.1529 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16018 160.8
[M+Na]+ 296.14212 162.4
[M-H]- 272.14562 157.7
[M+NH4]+ 291.18672 183.2
[M+K]+ 312.11606 157.8
[M+H-H2O]+ 256.15016 151.8
[M+HCOO]- 318.15110 167.3
[M+CH3COO]- 332.16675 168.3
[M+Na-2H]- 294.12757 170.0
[M]+ 273.15235 158.0
[M]- 273.15345 158.0
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

patents stripe