CID 154699566

Ns00117877

Structural Information

Molecular Formula
C21H13NO2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=C4C5=CC=C(C(=O)C5=CC=C4N3)O
InChI
InChI=1S/C21H13NO2/c23-20-10-7-14-15(21(20)24)6-9-19-17(14)11-16-13-4-2-1-3-12(13)5-8-18(16)22-19/h1-11,22-23H
InChIKey
QXBMKEPHJWMBQN-UHFFFAOYSA-N
Compound name
7-hydroxy-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,9,11,15,17,19,21-decaen-8-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

311.09464 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.10192 169.3
[M+Na]+ 334.08386 182.1
[M-H]- 310.08736 174.0
[M+NH4]+ 329.12846 185.5
[M+K]+ 350.05780 173.4
[M+H-H2O]+ 294.09190 160.1
[M+HCOO]- 356.09284 187.2
[M+CH3COO]- 370.10849 180.9
[M+Na-2H]- 332.06931 180.6
[M]+ 311.09409 171.6
[M]- 311.09519 171.6
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.