CID 3068816

1-(3,4-dihydro-2h-1-benzopyran-3-yl)-4-(4-fluorophenyl)piperazine

Structural Information

Molecular Formula
C19H21FN2O
SMILES
C1CN(CCN1C2CC3=CC=CC=C3OC2)C4=CC=C(C=C4)F
InChI
InChI=1S/C19H21FN2O/c20-16-5-7-17(8-6-16)21-9-11-22(12-10-21)18-13-15-3-1-2-4-19(15)23-14-18/h1-8,18H,9-14H2
InChIKey
FCHSCTPHZXIDKX-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-chromen-3-yl)-4-(4-fluorophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1638 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17108 175.3
[M+Na]+ 335.15302 180.2
[M-H]- 311.15652 180.8
[M+NH4]+ 330.19762 185.8
[M+K]+ 351.12696 175.2
[M+H-H2O]+ 295.16106 162.8
[M+HCOO]- 357.16200 187.1
[M+CH3COO]- 371.17765 183.8
[M+Na-2H]- 333.13847 178.3
[M]+ 312.16325 167.8
[M]- 312.16435 167.8
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.