CID 3059068

Brn 5573355

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CC(C)(C)C12C3=NC4=CC=CC=C4N3CC(O1)CO2
InChI
InChI=1S/C15H18N2O2/c1-14(2,3)15-13-16-11-6-4-5-7-12(11)17(13)8-10(19-15)9-18-15/h4-7,10H,8-9H2,1-3H3
InChIKey
DXQQMBKQEHQWCF-UHFFFAOYSA-N
Compound name
1-tert-butyl-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

258.13684 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 158.5
[M+Na]+ 281.126058 169.1
[M-H]- 257.129564 162.6
[M+NH4]+ 276.170663 179.7
[M+K]+ 297.099998 167.5
[M+H-H2O]+ 241.134100 152.9
[M+HCOO]- 303.135041 173.2
[M+CH3COO]- 317.150691 171.3
[M+Na-2H]- 279.111506 166.7
[M]+ 258.13629142 163.0
[M]- 258.13738858 163.0
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.