CID 307124

54012-87-2

Structural Information

Molecular Formula
C15H16N2O
SMILES
C1CC2=C(C1)N3CCCC4=C3C(=CC=C4)NC2=O
InChI
InChI=1S/C15H16N2O/c18-15-11-6-2-8-13(11)17-9-3-5-10-4-1-7-12(16-15)14(10)17/h1,4,7H,2-3,5-6,8-9H2,(H,16,18)
InChIKey
QOJIWWLKLUGOGI-UHFFFAOYSA-N
Compound name
1,8-diazatetracyclo[7.7.1.02,6.013,17]heptadeca-2(6),9,11,13(17)-tetraen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

240.12627 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 154.6
[M+Na]+ 263.11549 161.5
[M-H]- 239.11899 157.3
[M+NH4]+ 258.16009 173.0
[M+K]+ 279.08943 158.2
[M+H-H2O]+ 223.12353 147.9
[M+HCOO]- 285.12447 167.9
[M+CH3COO]- 299.14012 164.9
[M+Na-2H]- 261.10094 159.1
[M]+ 240.12572 148.2
[M]- 240.12682 148.2
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.