CID 154699809

Ns00117540

Structural Information

Molecular Formula
C21H15NO
SMILES
C1=CC=C2C(=C1)C=CC3C2=CC4=C(N3O)C=CC5=CC=CC=C54
InChI
InChI=1S/C21H15NO/c23-22-20-11-9-14-5-1-3-7-16(14)18(20)13-19-17-8-4-2-6-15(17)10-12-21(19)22/h1-13,20,23H
InChIKey
NACFRPLWKWAEHU-UHFFFAOYSA-N
Compound name
13-hydroxy-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,15,17,19,21-decaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11536 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12264 166.8
[M+Na]+ 320.10458 176.1
[M-H]- 296.10808 171.1
[M+NH4]+ 315.14918 183.7
[M+K]+ 336.07852 168.2
[M+H-H2O]+ 280.11262 157.0
[M+HCOO]- 342.11356 181.7
[M+CH3COO]- 356.12921 177.3
[M+Na-2H]- 318.09003 176.1
[M]+ 297.11481 165.3
[M]- 297.11591 165.3
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.