CID 638234

Thermopsine

Structural Information

Molecular Formula
C15H20N2O
SMILES
C1CCN2C[C@H]3C[C@@H]([C@@H]2C1)CN4C3=CC=CC4=O
InChI
InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12-,13+/m1/s1
InChIKey
FQEQMASDZFXSJI-UPJWGTAASA-N
Compound name
(1R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

86
Patents

244.15756 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 157.5
[M+Na]+ 267.14678 170.8
[M+NH4]+ 262.19138 167.9
[M+K]+ 283.12072 162.1
[M-H]- 243.15028 160.0
[M+Na-2H]- 265.13223 160.3
[M]+ 244.15701 160.1
[M]- 244.15811 160.1
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