CID 3059309

76311-54-1

Structural Information

Molecular Formula
C21H29FN2O2
SMILES
CCN(CC)C(C)CCN1C(=O)CC2(C1=O)CCCC3=C2C=C(C=C3)F
InChI
InChI=1S/C21H29FN2O2/c1-4-23(5-2)15(3)10-12-24-19(25)14-21(20(24)26)11-6-7-16-8-9-17(22)13-18(16)21/h8-9,13,15H,4-7,10-12,14H2,1-3H3
InChIKey
LURZKGKJQJOZMI-UHFFFAOYSA-N
Compound name
1'-[3-(diethylamino)butyl]-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

360.2213 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.22858 188.2
[M+Na]+ 383.21052 193.7
[M-H]- 359.21402 192.4
[M+NH4]+ 378.25512 205.2
[M+K]+ 399.18446 189.4
[M+H-H2O]+ 343.21856 179.4
[M+HCOO]- 405.21950 203.7
[M+CH3COO]- 419.23515 223.2
[M+Na-2H]- 381.19597 185.9
[M]+ 360.22075 186.8
[M]- 360.22185 186.8
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.