CID 24840740

102504-22-3

Structural Information

Molecular Formula
C21H28FNO3
SMILES
CCCC1CC2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)O1
InChI
InChI=1S/C21H28FNO3/c1-2-4-18-15-21(20(25)26-18)10-13-23(14-11-21)12-3-5-19(24)16-6-8-17(22)9-7-16/h6-9,18H,2-5,10-15H2,1H3
InChIKey
PYTSTYFWTTUPHT-UHFFFAOYSA-N
Compound name
8-[4-(4-fluorophenyl)-4-oxobutyl]-3-propyl-2-oxa-8-azaspiro[4.5]decan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.20532 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.21260 188.6
[M+Na]+ 384.19454 192.9
[M-H]- 360.19804 193.9
[M+NH4]+ 379.23914 202.2
[M+K]+ 400.16848 189.3
[M+H-H2O]+ 344.20258 179.2
[M+HCOO]- 406.20352 202.1
[M+CH3COO]- 420.21917 214.5
[M+Na-2H]- 382.17999 186.2
[M]+ 361.20477 185.6
[M]- 361.20587 185.6
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.