CID 210956

Piperazine, 1-dibenz(b,f)oxepin-10-yl-4-methyl-

Structural Information

Molecular Formula
C19H20N2O
SMILES
CN1CCN(CC1)C2=CC3=CC=CC=C3OC4=CC=CC=C42
InChI
InChI=1S/C19H20N2O/c1-20-10-12-21(13-11-20)17-14-15-6-2-4-8-18(15)22-19-9-5-3-7-16(17)19/h2-9,14H,10-13H2,1H3
InChIKey
ZCCUIFWJESTQQQ-UHFFFAOYSA-N
Compound name
1-benzo[b][1]benzoxepin-5-yl-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

292.15756 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 168.8
[M+Na]+ 315.14678 175.3
[M-H]- 291.15028 175.6
[M+NH4]+ 310.19138 181.3
[M+K]+ 331.12072 174.3
[M+H-H2O]+ 275.15482 159.8
[M+HCOO]- 337.15576 183.1
[M+CH3COO]- 351.17141 178.7
[M+Na-2H]- 313.13223 174.9
[M]+ 292.15701 164.0
[M]- 292.15811 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe