CID 42274

Piperazine, 1-(8-fluoro-10-dibenzo(b,f)oxepinyl)-4-methyl-, maleate

Structural Information

Molecular Formula
C19H19FN2O
SMILES
CN1CCN(CC1)C2=CC3=CC=CC=C3OC4=C2C=C(C=C4)F
InChI
InChI=1S/C19H19FN2O/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3
InChIKey
XEXXTDQTPNGWPK-UHFFFAOYSA-N
Compound name
1-(3-fluorobenzo[b][1]benzoxepin-5-yl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.14813 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15541 171.3
[M+Na]+ 333.13735 178.7
[M-H]- 309.14085 177.2
[M+NH4]+ 328.18195 183.4
[M+K]+ 349.11129 177.5
[M+H-H2O]+ 293.14539 161.5
[M+HCOO]- 355.14633 184.6
[M+CH3COO]- 369.16198 181.0
[M+Na-2H]- 331.12280 176.2
[M]+ 310.14758 166.0
[M]- 310.14868 166.0
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.