CID 3051723

Brn 0810018

Structural Information

Molecular Formula
C14H14N2O
SMILES
CN1C(=O)CN2C3=C(CCC3)C4=C2C1=CC=C4
InChI
InChI=1S/C14H14N2O/c1-15-12-7-3-5-10-9-4-2-6-11(9)16(14(10)12)8-13(15)17/h3,5,7H,2,4,6,8H2,1H3
InChIKey
BQXSDOZNTJGGSY-UHFFFAOYSA-N
Compound name
4-methyl-1,4-diazatetracyclo[7.5.1.05,15.010,14]pentadeca-5,7,9(15),10(14)-tetraen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.11061 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 149.0
[M+Na]+ 249.09983 162.6
[M+NH4]+ 244.14443 159.1
[M+K]+ 265.07377 158.6
[M-H]- 225.10333 150.9
[M+Na-2H]- 247.08528 152.2
[M]+ 226.11006 151.5
[M]- 226.11116 151.5
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.