CID 13196560

1-piperazineethanol, 4-(4h,6h-pyrrolo(1,2-a)(4,1)benzoxazepin-1-ylmethyl)-

Structural Information

Molecular Formula
C19H25N3O2
SMILES
C1CN(CCN1CCO)CC2=CC=C3N2C4=CC=CC=C4COC3
InChI
InChI=1S/C19H25N3O2/c23-12-11-20-7-9-21(10-8-20)13-17-5-6-18-15-24-14-16-3-1-2-4-19(16)22(17)18/h1-6,23H,7-15H2
InChIKey
HAYBIUYGYQDHDC-UHFFFAOYSA-N
Compound name
2-[4-(4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-1-ylmethyl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.19467 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.20195 182.6
[M+Na]+ 350.18389 192.7
[M+NH4]+ 345.22849 189.3
[M+K]+ 366.15783 188.6
[M-H]- 326.18739 185.9
[M+Na-2H]- 348.16934 185.4
[M]+ 327.19412 184.9
[M]- 327.19522 184.9
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.