CID 16352

Dibenz(b,f)(1,4)oxazepine, 11-(4-methyl-1-piperazinyl)-

Structural Information

Molecular Formula
C18H19N3O
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42
InChI
InChI=1S/C18H19N3O/c1-20-10-12-21(13-11-20)18-14-6-2-4-8-16(14)22-17-9-5-3-7-15(17)19-18/h2-9H,10-13H2,1H3
InChIKey
DHRIRNHMKXDGPC-UHFFFAOYSA-N
Compound name
6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

74
Patents

293.1528 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.160076 169.8
[M+Na]+ 316.142018 176.9
[M-H]- 292.145524 175.4
[M+NH4]+ 311.186623 181.0
[M+K]+ 332.115958 175.8
[M+H-H2O]+ 276.150060 159.4
[M+HCOO]- 338.151001 183.1
[M+CH3COO]- 352.166651 179.3
[M+Na-2H]- 314.127466 176.3
[M]+ 293.15225142 165.1
[M]- 293.15334858 165.1
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