CID 336017

72499-66-2

Structural Information

Molecular Formula
C18H12N2O2
SMILES
COC1=NC2=C(C=C3C(=C2)C4=CC=CC=C4O3)N5C1=CC=C5
InChI
InChI=1S/C18H12N2O2/c1-21-18-14-6-4-8-20(14)15-10-17-12(9-13(15)19-18)11-5-2-3-7-16(11)22-17/h2-10H,1H3
InChIKey
GUAPUPBBDHPSKA-UHFFFAOYSA-N
Compound name
9-methoxy-20-oxa-4,10-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1,3(11),5,7,9,12,14,16,18-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.08987 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09715 162.4
[M+Na]+ 311.07909 177.6
[M-H]- 287.08259 170.3
[M+NH4]+ 306.12369 182.3
[M+K]+ 327.05303 172.5
[M+H-H2O]+ 271.08713 155.1
[M+HCOO]- 333.08807 185.5
[M+CH3COO]- 347.10372 176.9
[M+Na-2H]- 309.06454 171.3
[M]+ 288.08932 172.1
[M]- 288.09042 172.1
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.