CID 3041031

Brn 0672774

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CCCCN1C(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)N1
InChI
InChI=1S/C18H18N2O2/c1-2-3-12-20-18(22)16-11-7-5-9-14(16)13-8-4-6-10-15(13)17(21)19-20/h4-11H,2-3,12H2,1H3,(H,19,21)
InChIKey
MPNWPJHPOQHJSE-UHFFFAOYSA-N
Compound name
9-butyl-9,10-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-8,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 165.1
[M+Na]+ 317.12606 169.6
[M+NH4]+ 312.17066 167.5
[M+K]+ 333.10000 167.6
[M-H]- 293.12956 165.7
[M+Na-2H]- 315.11151 167.1
[M]+ 294.13629 165.9
[M]- 294.13739 165.9
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.