CID 3050524

Brn 0616960

Structural Information

Molecular Formula
C11H10ClN3O
SMILES
CC1=NC2=C3N1CCC(=O)NC3=CC(=C2)Cl
InChI
InChI=1S/C11H10ClN3O/c1-6-13-8-4-7(12)5-9-11(8)15(6)3-2-10(16)14-9/h4-5H,2-3H2,1H3,(H,14,16)
InChIKey
BSIMLQQHKHRWOM-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.05124 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05852 144.1
[M+Na]+ 258.04046 156.9
[M+NH4]+ 253.08506 151.8
[M+K]+ 274.01440 153.2
[M-H]- 234.04396 144.4
[M+Na-2H]- 256.02591 148.6
[M]+ 235.05069 146.3
[M]- 235.05179 146.3
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.