CID 5271845

Methyl (7r,10as)-2,3,7,10a-tetramethyl-5,6,6a,8,9,10-hexahydronaphtho[2,1-f]quinoxaline-7-carboxylate

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CC1=C(N=C2C3=C(C=CC2=N1)[C@]4(CCC[C@@](C4CC3)(C)C(=O)OC)C)C
InChI
InChI=1S/C22H28N2O2/c1-13-14(2)24-19-15-7-10-18-21(3,16(15)8-9-17(19)23-13)11-6-12-22(18,4)20(25)26-5/h8-9,18H,6-7,10-12H2,1-5H3/t18?,21-,22-/m1/s1
InChIKey
HQHSWHPSWXUTBM-IPKCRJEZSA-N
Compound name
methyl (7R,10aS)-2,3,7,10a-tetramethyl-5,6,6a,8,9,10-hexahydronaphtho[2,1-f]quinoxaline-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.2151 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.222376 188.2
[M+Na]+ 375.204318 196.2
[M-H]- 351.207824 190.8
[M+NH4]+ 370.248923 205.6
[M+K]+ 391.178258 191.1
[M+H-H2O]+ 335.212360 177.8
[M+HCOO]- 397.213301 198.2
[M+CH3COO]- 411.228951 196.9
[M+Na-2H]- 373.189766 191.6
[M]+ 352.21455142 187.6
[M]- 352.21564858 187.6
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.