CID 89798165

1374635-90-1

Structural Information

Molecular Formula
C14H15ClN4O
SMILES
C1CCC2(CC1)CNC(=O)C3=CC4=CN=C(N=C4N23)Cl
InChI
InChI=1S/C14H15ClN4O/c15-13-16-7-9-6-10-12(20)17-8-14(4-2-1-3-5-14)19(10)11(9)18-13/h6-7H,1-5,8H2,(H,17,20)
InChIKey
WTRKUZNZMDTKIX-UHFFFAOYSA-N
Compound name
4-chlorospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

290.09344 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10072 166.2
[M+Na]+ 313.08266 176.3
[M-H]- 289.08616 166.6
[M+NH4]+ 308.12726 182.4
[M+K]+ 329.05660 168.8
[M+H-H2O]+ 273.09070 156.0
[M+HCOO]- 335.09164 173.8
[M+CH3COO]- 349.10729 175.7
[M+Na-2H]- 311.06811 170.9
[M]+ 290.09289 162.8
[M]- 290.09399 162.8
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

patents stripe