CID 3049886

65285-35-0

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CN1CCC2=C3C1CCC(=O)N3C4=C2C=C(C=C4)OC
InChI
InChI=1S/C16H18N2O2/c1-17-8-7-11-12-9-10(20-2)3-4-13(12)18-15(19)6-5-14(17)16(11)18/h3-4,9,14H,5-8H2,1-2H3
InChIKey
NOWSMNRNVJLMKX-UHFFFAOYSA-N
Compound name
12-methoxy-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.13684 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 161.7
[M+Na]+ 293.12606 175.9
[M+NH4]+ 288.17066 171.1
[M+K]+ 309.10000 169.8
[M-H]- 269.12956 163.8
[M+Na-2H]- 291.11151 164.6
[M]+ 270.13629 164.3
[M]- 270.13739 164.3
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.