CID 505980

1,2-benzenedicarboxamide, n-[(2s,6r,9ar)-octahydro-6-methyl-2h-quinolizin-2-yl]-

Structural Information

Molecular Formula
C18H25N3O2
SMILES
C[C@@H]1CCC[C@H]2N1CC[C@@H](C2)NC(=O)C3=CC=CC=C3C(=O)N
InChI
InChI=1S/C18H25N3O2/c1-12-5-4-6-14-11-13(9-10-21(12)14)20-18(23)16-8-3-2-7-15(16)17(19)22/h2-3,7-8,12-14H,4-6,9-11H2,1H3,(H2,19,22)(H,20,23)/t12-,13+,14-/m1/s1
InChIKey
OZVYQCVWRGZUCN-HZSPNIEDSA-N
Compound name
2-N-[(2S,6R,9aR)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]benzene-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.19467 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20195 175.2
[M+Na]+ 338.18389 177.2
[M-H]- 314.18739 179.1
[M+NH4]+ 333.22849 187.8
[M+K]+ 354.15783 173.3
[M+H-H2O]+ 298.19193 166.1
[M+HCOO]- 360.19287 189.5
[M+CH3COO]- 374.20852 213.0
[M+Na-2H]- 336.16934 174.9
[M]+ 315.19412 166.7
[M]- 315.19522 166.7
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.