CID 482831

2-[(3-nitro-2-(2-pyridyl)indolyl)methoxy]ethyl acetate

Structural Information

Molecular Formula
C18H17N3O5
SMILES
CC(=O)OCCOCN1C2=CC=CC=C2C(=C1C3=CC=CC=N3)[N+](=O)[O-]
InChI
InChI=1S/C18H17N3O5/c1-13(22)26-11-10-25-12-20-16-8-3-2-6-14(16)17(21(23)24)18(20)15-7-4-5-9-19-15/h2-9H,10-12H2,1H3
InChIKey
LCAVRTRDXXEBDR-UHFFFAOYSA-N
Compound name
2-[(3-nitro-2-pyridin-2-ylindol-1-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.11682 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12410 181.3
[M+Na]+ 378.10604 188.2
[M-H]- 354.10954 186.9
[M+NH4]+ 373.15064 192.9
[M+K]+ 394.07998 180.7
[M+H-H2O]+ 338.11408 176.0
[M+HCOO]- 400.11502 204.1
[M+CH3COO]- 414.13067 206.9
[M+Na-2H]- 376.09149 187.4
[M]+ 355.11627 185.8
[M]- 355.11737 185.8
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.