CID 127856

152302-33-5

Structural Information

Molecular Formula
C17H19NO
SMILES
C1CC(C1)C(=O)NCCC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C17H19NO/c19-17(15-8-4-9-15)18-12-11-14-7-3-6-13-5-1-2-10-16(13)14/h1-3,5-7,10,15H,4,8-9,11-12H2,(H,18,19)
InChIKey
GLXSBZGTGMPDKH-UHFFFAOYSA-N
Compound name
N-(2-naphthalen-1-ylethyl)cyclobutanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

25
Patents

253.14667 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.153946 156.8
[M+Na]+ 276.135888 160.7
[M-H]- 252.139394 163.2
[M+NH4]+ 271.180493 167.7
[M+K]+ 292.109828 159.8
[M+H-H2O]+ 236.143930 143.6
[M+HCOO]- 298.144871 177.1
[M+CH3COO]- 312.160521 201.3
[M+Na-2H]- 274.121336 161.9
[M]+ 253.14612142 163.6
[M]- 253.14721858 163.6
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