CID 15955607

Chembl376534

Structural Information

Molecular Formula
C21H19NO
SMILES
CCC1(CC2=CC=CC=C2N3C=CC=C3C1=O)C4=CC=CC=C4
InChI
InChI=1S/C21H19NO/c1-2-21(17-10-4-3-5-11-17)15-16-9-6-7-12-18(16)22-14-8-13-19(22)20(21)23/h3-14H,2,15H2,1H3
InChIKey
PBHVZXGYFPOEMG-UHFFFAOYSA-N
Compound name
5-ethyl-5-phenyl-6H-pyrrolo[1,2-a][1]benzazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.14667 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15395 174.5
[M+Na]+ 324.13589 183.0
[M-H]- 300.13939 183.2
[M+NH4]+ 319.18049 193.0
[M+K]+ 340.10983 179.3
[M+H-H2O]+ 284.14393 167.3
[M+HCOO]- 346.14487 194.0
[M+CH3COO]- 360.16052 185.8
[M+Na-2H]- 322.12134 178.8
[M]+ 301.14612 172.3
[M]- 301.14722 172.3
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.