CID 384832

Nsc675285

Structural Information

Molecular Formula
C22H19NO2
SMILES
C1CC1CC2(C(=O)C3=CC=CN3C4=CC=CC=C4O2)C5=CC=CC=C5
InChI
InChI=1S/C22H19NO2/c24-21-19-10-6-14-23(19)18-9-4-5-11-20(18)25-22(21,15-16-12-13-16)17-7-2-1-3-8-17/h1-11,14,16H,12-13,15H2
InChIKey
VUBUOKJQMWJAGL-UHFFFAOYSA-N
Compound name
6-(cyclopropylmethyl)-6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.14157 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.148846 175.8
[M+Na]+ 352.130788 185.0
[M-H]- 328.134294 187.7
[M+NH4]+ 347.175393 187.0
[M+K]+ 368.104728 183.4
[M+H-H2O]+ 312.138830 168.8
[M+HCOO]- 374.139771 193.9
[M+CH3COO]- 388.155421 186.6
[M+Na-2H]- 350.116236 180.2
[M]+ 329.14102142 176.7
[M]- 329.14211858 176.7
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

No patent data available for this compound.