CID 3062992

99609-37-7

Structural Information

Molecular Formula
C17H14ClN5O2
SMILES
CC1=NN=C(O1)C2=C3C4CCCN4C(=O)C5=C(N3C=N2)C=CC=C5Cl
InChI
InChI=1S/C17H14ClN5O2/c1-9-20-21-16(25-9)14-15-12-6-3-7-22(12)17(24)13-10(18)4-2-5-11(13)23(15)8-19-14/h2,4-5,8,12H,3,6-7H2,1H3
InChIKey
GCMQXAVMGIOKNW-UHFFFAOYSA-N
Compound name
14-chloro-5-(5-methyl-1,3,4-oxadiazol-2-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

355.0836 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.09088 180.4
[M+Na]+ 378.07282 193.5
[M+NH4]+ 373.11742 187.0
[M+K]+ 394.04676 193.3
[M-H]- 354.07632 183.1
[M+Na-2H]- 376.05827 183.3
[M]+ 355.08305 183.3
[M]- 355.08415 183.3
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.