CID 460881

Cyclopropylmethyl(dimethyl)[?]one

Structural Information

Molecular Formula
C15H20N4O
SMILES
C[C@H]1CN2C3=C(CN1CC4CC4)C(=NC=C3NC2=O)C
InChI
InChI=1S/C15H20N4O/c1-9-6-19-14-12(8-18(9)7-11-3-4-11)10(2)16-5-13(14)17-15(19)20/h5,9,11H,3-4,6-8H2,1-2H3,(H,17,20)/t9-/m0/s1
InChIKey
KAJWQPKJRJKZPJ-VIFPVBQESA-N
Compound name
(11S)-10-(cyclopropylmethyl)-7,11-dimethyl-1,3,6,10-tetrazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.1637 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.17098 171.6
[M+Na]+ 295.15292 183.1
[M-H]- 271.15642 175.3
[M+NH4]+ 290.19752 181.4
[M+K]+ 311.12686 178.6
[M+H-H2O]+ 255.16096 162.2
[M+HCOO]- 317.16190 186.5
[M+CH3COO]- 331.17755 181.3
[M+Na-2H]- 293.13837 173.8
[M]+ 272.16315 172.7
[M]- 272.16425 172.7
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.