CID 384829

Nsc675282

Structural Information

Molecular Formula
C19H15NO2
SMILES
CC1(C(=O)C2=CC=CN2C3=CC=CC=C3O1)C4=CC=CC=C4
InChI
InChI=1S/C19H15NO2/c1-19(14-8-3-2-4-9-14)18(21)16-11-7-13-20(16)15-10-5-6-12-17(15)22-19/h2-13H,1H3
InChIKey
JKENYCCSVPNHOF-UHFFFAOYSA-N
Compound name
6-methyl-6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.1103 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11758 167.4
[M+Na]+ 312.09952 176.9
[M-H]- 288.10302 177.1
[M+NH4]+ 307.14412 185.2
[M+K]+ 328.07346 175.2
[M+H-H2O]+ 272.10756 160.7
[M+HCOO]- 334.10850 186.9
[M+CH3COO]- 348.12415 179.6
[M+Na-2H]- 310.08497 173.4
[M]+ 289.10975 166.6
[M]- 289.11085 166.6
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.