CID 3059305

76311-52-9

Structural Information

Molecular Formula
C18H23FN2O2
SMILES
CN(C)CCCN1C(=O)CC2(C1=O)CCCC3=C2C=C(C=C3)F
InChI
InChI=1S/C18H23FN2O2/c1-20(2)9-4-10-21-16(22)12-18(17(21)23)8-3-5-13-6-7-14(19)11-15(13)18/h6-7,11H,3-5,8-10,12H2,1-2H3
InChIKey
ZMMGPESHEIPRKH-UHFFFAOYSA-N
Compound name
1'-[3-(dimethylamino)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

318.17435 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18163 174.6
[M+Na]+ 341.16357 181.7
[M-H]- 317.16707 179.3
[M+NH4]+ 336.20817 193.4
[M+K]+ 357.13751 177.6
[M+H-H2O]+ 301.17161 166.0
[M+HCOO]- 363.17255 192.2
[M+CH3COO]- 377.18820 213.4
[M+Na-2H]- 339.14902 175.0
[M]+ 318.17380 172.8
[M]- 318.17490 172.8
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.