CID 3385437

3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1h-indole

Structural Information

Molecular Formula
C20H16N2O3
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(C[N+](=O)[O-])C4=CC=CO4
InChI
InChI=1S/C20H16N2O3/c23-22(24)13-16(18-11-6-12-25-18)19-15-9-4-5-10-17(15)21-20(19)14-7-2-1-3-8-14/h1-12,16,21H,13H2
InChIKey
RYOZXDJCTOEOFN-UHFFFAOYSA-N
Compound name
3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

332.1161 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12338 176.3
[M+Na]+ 355.10532 182.2
[M-H]- 331.10882 185.8
[M+NH4]+ 350.14992 189.5
[M+K]+ 371.07926 173.8
[M+H-H2O]+ 315.11336 172.5
[M+HCOO]- 377.11430 198.9
[M+CH3COO]- 391.12995 200.4
[M+Na-2H]- 353.09077 181.1
[M]+ 332.11555 176.1
[M]- 332.11665 176.1
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

patents stripe