CID 505954

Chembl71786

Structural Information

Molecular Formula
C17H25N3O2
SMILES
C[C@@H]1CCC[C@H]2N1CC[C@@H](C2)NC(=O)C3=C(C=C(C=C3)N)O
InChI
InChI=1S/C17H25N3O2/c1-11-3-2-4-14-10-13(7-8-20(11)14)19-17(22)15-6-5-12(18)9-16(15)21/h5-6,9,11,13-14,21H,2-4,7-8,10,18H2,1H3,(H,19,22)/t11-,13+,14-/m1/s1
InChIKey
ZBMFUBMGENJQCO-KWCYVHTRSA-N
Compound name
N-[(2S,6R,9aR)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-4-amino-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.19467 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.20195 172.4
[M+Na]+ 326.18389 175.4
[M-H]- 302.18739 175.5
[M+NH4]+ 321.22849 185.3
[M+K]+ 342.15783 171.0
[M+H-H2O]+ 286.19193 163.9
[M+HCOO]- 348.19287 186.4
[M+CH3COO]- 362.20852 208.8
[M+Na-2H]- 324.16934 172.7
[M]+ 303.19412 163.6
[M]- 303.19522 163.6
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.