CID 474635

5'-methylspiro[cyclopentane-1,11'-dipyrido[[?],[?]]azepine]-6'-one

Structural Information

Molecular Formula
C17H17N3O
SMILES
CN1C2=C(C3(CCCC3)C4=C(C1=O)C=CC=N4)N=CC=C2
InChI
InChI=1S/C17H17N3O/c1-20-13-7-5-11-19-15(13)17(8-2-3-9-17)14-12(16(20)21)6-4-10-18-14/h4-7,10-11H,2-3,8-9H2,1H3
InChIKey
ZZIQCBVUTKXVJL-UHFFFAOYSA-N
Compound name
9-methylspiro[4,9,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,1'-cyclopentane]-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.13718 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14446 166.6
[M+Na]+ 302.12640 175.7
[M-H]- 278.12990 171.7
[M+NH4]+ 297.17100 183.7
[M+K]+ 318.10034 172.3
[M+H-H2O]+ 262.13444 156.8
[M+HCOO]- 324.13538 182.1
[M+CH3COO]- 338.15103 177.2
[M+Na-2H]- 300.11185 171.4
[M]+ 279.13663 162.2
[M]- 279.13773 162.2
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.