CID 6474608

Methyl 5-(2-nitrovinyl)-1-hydroxy-4-(methoxycarbonyl)piperidino[1,2-a]indole-4-carboxylate

Structural Information

Molecular Formula
C18H18N2O7
SMILES
COC(=O)C1(CCC(N2C1=C(C3=CC=CC=C32)/C=C/[N+](=O)[O-])O)C(=O)OC
InChI
InChI=1S/C18H18N2O7/c1-26-16(22)18(17(23)27-2)9-7-14(21)20-13-6-4-3-5-11(13)12(15(18)20)8-10-19(24)25/h3-6,8,10,14,21H,7,9H2,1-2H3/b10-8+
InChIKey
HMDUHLSADDHGJH-CSKARUKUSA-N
Compound name
dimethyl 6-hydroxy-10-[(E)-2-nitroethenyl]-7,8-dihydro-6H-pyrido[1,2-a]indole-9,9-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.1114 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11868 182.4
[M+Na]+ 397.10062 188.8
[M-H]- 373.10412 185.3
[M+NH4]+ 392.14522 197.1
[M+K]+ 413.07456 182.0
[M+H-H2O]+ 357.10866 180.4
[M+HCOO]- 419.10960 200.1
[M+CH3COO]- 433.12525 206.9
[M+Na-2H]- 395.08607 187.4
[M]+ 374.11085 184.8
[M]- 374.11195 184.8
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.