CID 201655

Leontalbin

Structural Information

Molecular Formula
C15H22N2O
SMILES
C1C[C@H]2[C@@H]3CCCN4[C@@H]3C(=CN2C(=O)C1)CCC4
InChI
InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h10,12-13,15H,1-9H2/t12-,13-,15+/m0/s1
InChIKey
QIFZCGKECLUFGM-KCQAQPDRSA-N
Compound name
(1S,2S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-8-en-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 157.8
[M+Na]+ 269.16244 161.1
[M-H]- 245.16594 157.9
[M+NH4]+ 264.20704 174.9
[M+K]+ 285.13638 156.5
[M+H-H2O]+ 229.17048 148.2
[M+HCOO]- 291.17142 165.5
[M+CH3COO]- 305.18707 166.1
[M+Na-2H]- 267.14789 161.6
[M]+ 246.17267 148.8
[M]- 246.17377 148.8
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

No patent data available for this compound.