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 178.2
[M+Na]+ 350.18389 183.0
[M-H]- 326.18739 182.2
[M+NH4]+ 345.22849 189.0
[M+K]+ 366.15783 181.4
[M+H-H2O]+ 310.19193 168.1
[M+HCOO]- 372.19287 189.3
[M+CH3COO]- 386.20852 186.2
[M+Na-2H]- 348.16934 179.9
[M]+ 327.19412 172.9
[M]- 327.19522 172.9
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.