CID 3006193

Chembl432340

Structural Information

Molecular Formula
C17H23N5O2
SMILES
C[C@@H]1CCC[C@H]2N1CC[C@@H](C2)NC(=O)C3=C(C=CC(=C3)N=[N+]=[N-])O
InChI
InChI=1S/C17H23N5O2/c1-11-3-2-4-14-9-12(7-8-22(11)14)19-17(24)15-10-13(20-21-18)5-6-16(15)23/h5-6,10-12,14,23H,2-4,7-9H2,1H3,(H,19,24)/t11-,12+,14-/m1/s1
InChIKey
RHYOFIGDALQIOR-MBNYWOFBSA-N
Compound name
N-[(2S,6R,9aR)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-5-azido-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.18518 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.19246 173.3
[M+Na]+ 352.17440 175.1
[M-H]- 328.17790 179.1
[M+NH4]+ 347.21900 185.3
[M+K]+ 368.14834 166.7
[M+H-H2O]+ 312.18244 168.0
[M+HCOO]- 374.18338 193.6
[M+CH3COO]- 388.19903 213.6
[M+Na-2H]- 350.15985 178.9
[M]+ 329.18463 164.0
[M]- 329.18573 164.0
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.