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]+ 353.22238 188.2
[M+Na]+ 375.20432 196.2
[M-H]- 351.20782 190.8
[M+NH4]+ 370.24892 205.6
[M+K]+ 391.17826 191.1
[M+H-H2O]+ 335.21236 177.8
[M+HCOO]- 397.21330 198.2
[M+CH3COO]- 411.22895 196.9
[M+Na-2H]- 373.18977 191.6
[M]+ 352.21455 187.6
[M]- 352.21565 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.