CID 210955

Dibenz(b,f)(1,4)oxazepine, 2-nitro-11-(1-piperazinyl)-

Structural Information

Molecular Formula
C17H16N4O3
SMILES
C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C17H16N4O3/c22-21(23)12-5-6-15-13(11-12)17(20-9-7-18-8-10-20)19-14-3-1-2-4-16(14)24-15/h1-6,11,18H,7-10H2
InChIKey
LQAWIWADIHYDAI-UHFFFAOYSA-N
Compound name
8-nitro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

324.12225 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12953 179.7
[M+Na]+ 347.11147 192.6
[M+NH4]+ 342.15607 186.3
[M+K]+ 363.08541 189.0
[M-H]- 323.11497 184.9
[M+Na-2H]- 345.09692 184.7
[M]+ 324.12170 183.0
[M]- 324.12280 183.0
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

patents stripe