CID 3062993

99609-48-0

Structural Information

Molecular Formula
C19H16ClN5O2
SMILES
C1CC2C3=C(N=CN3C4=C(C(=CC=C4)Cl)C(=O)N2C1)C5=NC(=NO5)C6CC6
InChI
InChI=1S/C19H16ClN5O2/c20-11-3-1-4-12-14(11)19(26)24-8-2-5-13(24)16-15(21-9-25(12)16)18-22-17(23-27-18)10-6-7-10/h1,3-4,9-10,13H,2,5-8H2
InChIKey
AJARNPHLDLWUNJ-UHFFFAOYSA-N
Compound name
14-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.09924 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.10652 189.7
[M+Na]+ 404.08846 204.4
[M+NH4]+ 399.13306 197.2
[M+K]+ 420.06240 204.1
[M-H]- 380.09196 199.9
[M+Na-2H]- 402.07391 195.4
[M]+ 381.09869 196.1
[M]- 381.09979 196.1
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.