CID 482837

2-[(3-nitro-2-(2-pyridyl)indolyl)methoxy]ethan-1-ol

Structural Information

Molecular Formula
C16H15N3O4
SMILES
C1=CC=C2C(=C1)C(=C(N2COCCO)C3=CC=CC=N3)[N+](=O)[O-]
InChI
InChI=1S/C16H15N3O4/c20-9-10-23-11-18-14-7-2-1-5-12(14)15(19(21)22)16(18)13-6-3-4-8-17-13/h1-8,20H,9-11H2
InChIKey
DWYNOMHGQYCIEC-UHFFFAOYSA-N
Compound name
2-[(3-nitro-2-pyridin-2-ylindol-1-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.10626 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11354 169.2
[M+Na]+ 336.09548 176.9
[M-H]- 312.09898 173.7
[M+NH4]+ 331.14008 182.1
[M+K]+ 352.06942 168.3
[M+H-H2O]+ 296.10352 164.5
[M+HCOO]- 358.10446 191.9
[M+CH3COO]- 372.12011 197.1
[M+Na-2H]- 334.08093 177.0
[M]+ 313.10571 171.4
[M]- 313.10681 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.