CID 374519

Nsc652270

Structural Information

Molecular Formula
C21H19NO2
SMILES
C1CC2CC1C3C2ON4C3(C(=O)C5=CC=CC=C54)C6=CC=CC=C6
InChI
InChI=1S/C21H19NO2/c23-20-16-8-4-5-9-17(16)22-21(20,15-6-2-1-3-7-15)18-13-10-11-14(12-13)19(18)24-22/h1-9,13-14,18-19H,10-12H2
InChIKey
CBCQKZVNIUOMEJ-UHFFFAOYSA-N
Compound name
3-phenyl-12-oxa-11-azapentacyclo[12.2.1.02,13.03,11.05,10]heptadeca-5,7,9-trien-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.14157 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14885 173.2
[M+Na]+ 340.13079 182.7
[M-H]- 316.13429 182.6
[M+NH4]+ 335.17539 198.2
[M+K]+ 356.10473 177.4
[M+H-H2O]+ 300.13883 168.7
[M+HCOO]- 362.13977 189.8
[M+CH3COO]- 376.15542 185.3
[M+Na-2H]- 338.11624 171.5
[M]+ 317.14102 174.5
[M]- 317.14212 174.5
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.