CID 385306

Nsc676419

Structural Information

Molecular Formula
C20H17NO2
SMILES
CCC1(C(=O)C2=CC=CN2C3=CC=CC=C3O1)C4=CC=CC=C4
InChI
InChI=1S/C20H17NO2/c1-2-20(15-9-4-3-5-10-15)19(22)17-12-8-14-21(17)16-11-6-7-13-18(16)23-20/h3-14H,2H2,1H3
InChIKey
NDEBJOYSLDGPCZ-UHFFFAOYSA-N
Compound name
6-ethyl-6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

303.12592 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13320 171.9
[M+Na]+ 326.11514 180.9
[M-H]- 302.11864 181.4
[M+NH4]+ 321.15974 189.1
[M+K]+ 342.08908 179.1
[M+H-H2O]+ 286.12318 165.0
[M+HCOO]- 348.12412 191.0
[M+CH3COO]- 362.13977 183.7
[M+Na-2H]- 324.10059 177.4
[M]+ 303.12537 171.4
[M]- 303.12647 171.4
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.