CID 3071091

87255-62-7

Structural Information

Molecular Formula
C15H15ClN2O
SMILES
C1CC2C3=C(CCN2)C4=C(N3C(=O)C1)C=CC(=C4)Cl
InChI
InChI=1S/C15H15ClN2O/c16-9-4-5-13-11(8-9)10-6-7-17-12-2-1-3-14(19)18(13)15(10)12/h4-5,8,12,17H,1-3,6-7H2
InChIKey
JMHWPSBNGULZSO-UHFFFAOYSA-N
Compound name
14-chloro-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

274.08728 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09456 156.1
[M+Na]+ 297.07650 168.5
[M+NH4]+ 292.12110 165.1
[M+K]+ 313.05044 163.4
[M-H]- 273.08000 157.8
[M+Na-2H]- 295.06195 159.5
[M]+ 274.08673 158.6
[M]- 274.08783 158.6
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

patents stripe