CID 453339

133627-25-5

Structural Information

Molecular Formula
C15H11N5O
SMILES
C1CC1N2C3=C(C=CC=N3)C(=O)NC4=C(C=CN=C42)C#N
InChI
InChI=1S/C15H11N5O/c16-8-9-5-7-18-14-12(9)19-15(21)11-2-1-6-17-13(11)20(14)10-3-4-10/h1-2,5-7,10H,3-4H2,(H,19,21)
InChIKey
YPQJRBBAWFXRRS-UHFFFAOYSA-N
Compound name
2-cyclopropyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

277.09637 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10365 167.7
[M+Na]+ 300.08559 183.3
[M-H]- 276.08909 170.9
[M+NH4]+ 295.13019 175.1
[M+K]+ 316.05953 175.4
[M+H-H2O]+ 260.09363 153.9
[M+HCOO]- 322.09457 180.6
[M+CH3COO]- 336.11022 176.7
[M+Na-2H]- 298.07104 173.9
[M]+ 277.09582 162.6
[M]- 277.09692 162.6
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.