CID 6477233

3-[(e)-2-nitroprop-1-enyl]-2-phenyl-1h-indole

Structural Information

Molecular Formula
C17H14N2O2
SMILES
C/C(=C\C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)/[N+](=O)[O-]
InChI
InChI=1S/C17H14N2O2/c1-12(19(20)21)11-15-14-9-5-6-10-16(14)18-17(15)13-7-3-2-4-8-13/h2-11,18H,1H3/b12-11+
InChIKey
GROBMHGNOGUBBC-VAWYXSNFSA-N
Compound name
3-[(E)-2-nitroprop-1-enyl]-2-phenyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.10553 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 163.2
[M+Na]+ 301.09475 170.3
[M-H]- 277.09825 168.7
[M+NH4]+ 296.13935 178.9
[M+K]+ 317.06869 160.3
[M+H-H2O]+ 261.10279 159.9
[M+HCOO]- 323.10373 185.9
[M+CH3COO]- 337.11938 191.2
[M+Na-2H]- 299.08020 169.3
[M]+ 278.10498 161.0
[M]- 278.10608 161.0
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.