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]+ 330.14885 175.8
[M+Na]+ 352.13079 185.0
[M-H]- 328.13429 187.7
[M+NH4]+ 347.17539 187.0
[M+K]+ 368.10473 183.4
[M+H-H2O]+ 312.13883 168.8
[M+HCOO]- 374.13977 193.9
[M+CH3COO]- 388.15542 186.6
[M+Na-2H]- 350.11624 180.2
[M]+ 329.14102 176.7
[M]- 329.14212 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.