CID 3044268

Brn 1150484

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CC1=CC=C(C=C1)C23C4=NC5=CC=CC=C5N4CC(O2)CO3
InChI
InChI=1S/C18H16N2O2/c1-12-6-8-13(9-7-12)18-17-19-15-4-2-3-5-16(15)20(17)10-14(22-18)11-21-18/h2-9,14H,10-11H2,1H3
InChIKey
NGWXWEUQRILVSX-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-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

292.1212 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 163.6
[M+Na]+ 315.11042 174.8
[M-H]- 291.11392 171.1
[M+NH4]+ 310.15502 182.9
[M+K]+ 331.08436 171.3
[M+H-H2O]+ 275.11846 155.7
[M+HCOO]- 337.11940 180.2
[M+CH3COO]- 351.13505 176.2
[M+Na-2H]- 313.09587 170.0
[M]+ 292.12065 167.4
[M]- 292.12175 167.4
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.