CID 6474609

Dimethyl 10-[(e)-2-nitrovinyl]-6-oxo-7,8-dihydropyrido[1,2-a]indole-9,9-dicarboxylate

Structural Information

Molecular Formula
C18H16N2O7
SMILES
COC(=O)C1(CCC(=O)N2C1=C(C3=CC=CC=C32)/C=C/[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C18H16N2O7/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/h3-6,8,10H,7,9H2,1-2H3/b10-8+
InChIKey
BVUVZXSVUJKHJH-CSKARUKUSA-N
Compound name
dimethyl 10-[(E)-2-nitroethenyl]-6-oxo-7,8-dihydropyrido[1,2-a]indole-9,9-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.09576 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.10304 181.4
[M+Na]+ 395.08498 188.6
[M-H]- 371.08848 185.8
[M+NH4]+ 390.12958 196.8
[M+K]+ 411.05892 182.0
[M+H-H2O]+ 355.09302 179.2
[M+HCOO]- 417.09396 200.8
[M+CH3COO]- 431.10961 208.5
[M+Na-2H]- 393.07043 186.8
[M]+ 372.09521 184.9
[M]- 372.09631 184.9
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.