CID 250867

Nsc70820

Structural Information

Molecular Formula
C20H11NO2
SMILES
C1=CC=C2C(=C1)C=C3C4=CC=CC5=C4C(=C(C=C5)O)N=C3C2=O
InChI
InChI=1S/C20H11NO2/c22-16-9-8-11-5-3-7-14-15-10-12-4-1-2-6-13(12)20(23)18(15)21-19(16)17(11)14/h1-10,22H
InChIKey
ZXAOSEZCZNZKJL-UHFFFAOYSA-N
Compound name
14-hydroxy-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,11,13,15,17(21),18-decaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.07898 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08626 166.1
[M+Na]+ 320.06820 177.6
[M-H]- 296.07170 170.8
[M+NH4]+ 315.11280 183.5
[M+K]+ 336.04214 170.3
[M+H-H2O]+ 280.07624 156.6
[M+HCOO]- 342.07718 183.1
[M+CH3COO]- 356.09283 177.7
[M+Na-2H]- 318.05365 176.7
[M]+ 297.07843 168.7
[M]- 297.07953 168.7
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.