CID 3059087

Brn 5605070

Structural Information

Molecular Formula
C17H14N2O3
SMILES
C1C2COC(O2)(C3=NC4=CC=CC=C4N31)C5=CC=C(C=C5)O
InChI
InChI=1S/C17H14N2O3/c20-12-7-5-11(6-8-12)17-16-18-14-3-1-2-4-15(14)19(16)9-13(22-17)10-21-17/h1-8,13,20H,9-10H2
InChIKey
TZHXBLQDLSNZFS-UHFFFAOYSA-N
Compound name
4-(14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraen-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.10043 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.107706 161.4
[M+Na]+ 317.089648 172.4
[M-H]- 293.093154 167.8
[M+NH4]+ 312.134253 179.8
[M+K]+ 333.063588 169.1
[M+H-H2O]+ 277.097690 154.0
[M+HCOO]- 339.098631 177.1
[M+CH3COO]- 353.114281 173.7
[M+Na-2H]- 315.075096 168.4
[M]+ 294.09988142 164.8
[M]- 294.10097858 164.8
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.