CID 460869

Chembl167459

Structural Information

Molecular Formula
C17H24N4O
SMILES
C[C@H]1CN2C3=C(CN1CC4CC4)C=C(C=C3NC2=O)N(C)C
InChI
InChI=1S/C17H24N4O/c1-11-8-21-16-13(10-20(11)9-12-4-5-12)6-14(19(2)3)7-15(16)18-17(21)22/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,18,22)/t11-/m0/s1
InChIKey
JAPMWTTXDPMOLU-NSHDSACASA-N
Compound name
(11S)-10-(cyclopropylmethyl)-6-(dimethylamino)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

300.195 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.20228 174.6
[M+Na]+ 323.18422 184.4
[M-H]- 299.18772 180.7
[M+NH4]+ 318.22882 185.0
[M+K]+ 339.15816 181.3
[M+H-H2O]+ 283.19226 166.0
[M+HCOO]- 345.19320 191.6
[M+CH3COO]- 359.20885 184.5
[M+Na-2H]- 321.16967 176.5
[M]+ 300.19445 176.6
[M]- 300.19555 176.6
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.