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]+ 275.094556 161.1
[M+Na]+ 297.076498 171.3
[M-H]- 273.080004 164.1
[M+NH4]+ 292.121103 179.6
[M+K]+ 313.050438 166.9
[M+H-H2O]+ 257.084540 154.5
[M+HCOO]- 319.085481 171.5
[M+CH3COO]- 333.101131 172.0
[M+Na-2H]- 295.061946 165.5
[M]+ 274.08673142 158.4
[M]- 274.08782858 158.4
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