CID 43137

4-(pyrrolidinyl)-2'-butyronaphthone hydrochloride

Structural Information

Molecular Formula
C18H21NO
SMILES
C1CCN(C1)CCCC(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C18H21NO/c20-18(8-5-13-19-11-3-4-12-19)17-10-9-15-6-1-2-7-16(15)14-17/h1-2,6-7,9-10,14H,3-5,8,11-13H2
InChIKey
FTMHBSSIMUBPAX-UHFFFAOYSA-N
Compound name
1-naphthalen-2-yl-4-pyrrolidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16232 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 164.9
[M+Na]+ 290.15154 169.8
[M-H]- 266.15504 169.9
[M+NH4]+ 285.19614 182.2
[M+K]+ 306.12548 165.0
[M+H-H2O]+ 250.15958 156.4
[M+HCOO]- 312.16052 183.7
[M+CH3COO]- 326.17617 175.5
[M+Na-2H]- 288.13699 167.0
[M]+ 267.16177 162.8
[M]- 267.16287 162.8
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.