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]+ 241.133546 154.6
[M+Na]+ 263.115488 161.5
[M-H]- 239.118994 157.3
[M+NH4]+ 258.160093 173.0
[M+K]+ 279.089428 158.2
[M+H-H2O]+ 223.123530 147.9
[M+HCOO]- 285.124471 167.9
[M+CH3COO]- 299.140121 164.9
[M+Na-2H]- 261.100936 159.1
[M]+ 240.12572142 148.2
[M]- 240.12681858 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

literature stripe

Patent stripe

No patent data available for this compound.