CID 13370202

97306-23-5

Structural Information

Molecular Formula
C21H31FN2O2
SMILES
CC1C2(CCCCC2)OCC(O1)CN3CCN(CC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H31FN2O2/c1-17-21(9-3-2-4-10-21)25-16-20(26-17)15-23-11-13-24(14-12-23)19-7-5-18(22)6-8-19/h5-8,17,20H,2-4,9-16H2,1H3
InChIKey
RFGWIMGKHLZWBD-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.23697 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.24425 193.2
[M+Na]+ 385.22619 194.8
[M-H]- 361.22969 199.3
[M+NH4]+ 380.27079 201.2
[M+K]+ 401.20013 192.1
[M+H-H2O]+ 345.23423 179.7
[M+HCOO]- 407.23517 199.3
[M+CH3COO]- 421.25082 199.2
[M+Na-2H]- 383.21164 192.2
[M]+ 362.23642 182.4
[M]- 362.23752 182.4
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.