CID 396210

Nsc701765

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CCC1(C(=O)C2=CC=CN2C3=C(O1)C=CC=N3)CC=C(C)C
InChI
InChI=1S/C18H20N2O2/c1-4-18(10-9-13(2)3)16(21)14-7-6-12-20(14)17-15(22-18)8-5-11-19-17/h5-9,11-12H,4,10H2,1-3H3
InChIKey
ZZOCJQCESOYSET-UHFFFAOYSA-N
Compound name
8-ethyl-8-(3-methylbut-2-enyl)-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.15247 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 168.5
[M+Na]+ 319.14169 177.0
[M-H]- 295.14519 173.5
[M+NH4]+ 314.18629 185.1
[M+K]+ 335.11563 175.9
[M+H-H2O]+ 279.14973 161.2
[M+HCOO]- 341.15067 185.0
[M+CH3COO]- 355.16632 179.6
[M+Na-2H]- 317.12714 172.3
[M]+ 296.15192 169.0
[M]- 296.15302 169.0
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.