CID 384830

Nsc675283

Structural Information

Molecular Formula
C23H21NO2
SMILES
CC(=CCC1(C(=O)C2=CC=CN2C3=CC=CC=C3O1)C4=CC=CC=C4)C
InChI
InChI=1S/C23H21NO2/c1-17(2)14-15-23(18-9-4-3-5-10-18)22(25)20-12-8-16-24(20)19-11-6-7-13-21(19)26-23/h3-14,16H,15H2,1-2H3
InChIKey
IJGLPJRKFZJNCY-UHFFFAOYSA-N
Compound name
6-(3-methylbut-2-enyl)-6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.15723 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16451 184.5
[M+Na]+ 366.14645 192.2
[M-H]- 342.14995 193.5
[M+NH4]+ 361.19105 200.0
[M+K]+ 382.12039 189.8
[M+H-H2O]+ 326.15449 177.3
[M+HCOO]- 388.15543 201.8
[M+CH3COO]- 402.17108 194.9
[M+Na-2H]- 364.13190 187.4
[M]+ 343.15668 183.5
[M]- 343.15778 183.5
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.