CID 3053759

70384-97-3

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CC1=CC2=C(C=C1)OC34CCN(CC3C2CC(=O)N4)C
InChI
InChI=1S/C16H20N2O2/c1-10-3-4-14-12(7-10)11-8-15(19)17-16(20-14)5-6-18(2)9-13(11)16/h3-4,7,11,13H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKey
ZPGSPUWRHHEICT-UHFFFAOYSA-N
Compound name
6,12-dimethyl-2-oxa-12,15-diazatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6-trien-16-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15247 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 164.7
[M+Na]+ 295.14169 171.5
[M-H]- 271.14519 166.7
[M+NH4]+ 290.18629 180.8
[M+K]+ 311.11563 167.3
[M+H-H2O]+ 255.14973 155.1
[M+HCOO]- 317.15067 173.5
[M+CH3COO]- 331.16632 174.0
[M+Na-2H]- 293.12714 169.8
[M]+ 272.15192 159.4
[M]- 272.15302 159.4
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.