CID 3044269

Brn 1157965

Structural Information

Molecular Formula
C18H16N2O3
SMILES
COC1=CC=C(C=C1)C23C4=NC5=CC=CC=C5N4CC(O2)CO3
InChI
InChI=1S/C18H16N2O3/c1-21-13-8-6-12(7-9-13)18-17-19-15-4-2-3-5-16(15)20(17)10-14(23-18)11-22-18/h2-9,14H,10-11H2,1H3
InChIKey
ZZTVBGGOFIFPJC-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1161 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.123376 166.2
[M+Na]+ 331.105318 177.0
[M-H]- 307.108824 173.7
[M+NH4]+ 326.149923 184.7
[M+K]+ 347.079258 174.4
[M+H-H2O]+ 291.113360 158.2
[M+HCOO]- 353.114301 182.9
[M+CH3COO]- 367.129951 178.6
[M+Na-2H]- 329.090766 172.8
[M]+ 308.11555142 171.4
[M]- 308.11664858 171.4
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.