CID 3059307

76311-53-0

Structural Information

Molecular Formula
C20H27FN2O2
SMILES
CCN(CC)CCCN1C(=O)CC2(C1=O)CCCC3=C2C=C(C=C3)F
InChI
InChI=1S/C20H27FN2O2/c1-3-22(4-2)11-6-12-23-18(24)14-20(19(23)25)10-5-7-15-8-9-16(21)13-17(15)20/h8-9,13H,3-7,10-12,14H2,1-2H3
InChIKey
BUNFOSDSOSYVIU-UHFFFAOYSA-N
Compound name
1'-[3-(diethylamino)propyl]-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.20566 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.21294 183.7
[M+Na]+ 369.19488 189.9
[M-H]- 345.19838 188.0
[M+NH4]+ 364.23948 201.3
[M+K]+ 385.16882 185.3
[M+H-H2O]+ 329.20292 174.7
[M+HCOO]- 391.20386 200.5
[M+CH3COO]- 405.21951 219.4
[M+Na-2H]- 367.18033 183.0
[M]+ 346.20511 182.5
[M]- 346.20621 182.5
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.