CID 155293280

Ns00073297

Structural Information

Molecular Formula
C19H25N3O3
SMILES
CCC[C@@H]1C(=O)C2=C(N=C(N2)[C@H]3C[C@H]4C[C@@H]3[C@H]5[C@@H]4O5)N(C1=O)CCC
InChI
InChI=1S/C19H25N3O3/c1-3-5-10-14(23)13-18(22(6-4-2)19(10)24)21-17(20-13)12-8-9-7-11(12)16-15(9)25-16/h9-12,15-16H,3-8H2,1-2H3,(H,20,21)/t9-,10-,11+,12+,15-,16+/m1/s1
InChIKey
NJYNSYQBNSDGIQ-RJSFJBSNSA-N
Compound name
(6R)-2-[(1S,2R,4S,5S,6S)-3-oxatricyclo[3.2.1.02,4]octan-6-yl]-4,6-dipropyl-1H-imidazo[4,5-b]pyridine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1896 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.19688 190.3
[M+Na]+ 366.17882 201.0
[M-H]- 342.18232 194.3
[M+NH4]+ 361.22342 202.4
[M+K]+ 382.15276 193.4
[M+H-H2O]+ 326.18686 185.2
[M+HCOO]- 388.18780 200.6
[M+CH3COO]- 402.20345 199.2
[M+Na-2H]- 364.16427 185.0
[M]+ 343.18905 195.2
[M]- 343.19015 195.2
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.