CID 5984843

5-(benzyloxy)-3-(2-nitrovinyl)-1h-indole

Structural Information

Molecular Formula
C17H14N2O3
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3/C=C/[N+](=O)[O-]
InChI
InChI=1S/C17H14N2O3/c20-19(21)9-8-14-11-18-17-7-6-15(10-16(14)17)22-12-13-4-2-1-3-5-13/h1-11,18H,12H2/b9-8+
InChIKey
VHFAFPNKRNJZPV-CMDGGOBGSA-N
Compound name
3-[(E)-2-nitroethenyl]-5-phenylmethoxy-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.10043 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.107706 166.6
[M+Na]+ 317.089648 173.7
[M-H]- 293.093154 171.9
[M+NH4]+ 312.134253 181.5
[M+K]+ 333.063588 163.8
[M+H-H2O]+ 277.097690 162.7
[M+HCOO]- 339.098631 190.4
[M+CH3COO]- 353.114281 192.6
[M+Na-2H]- 315.075096 173.9
[M]+ 294.09988142 166.3
[M]- 294.10097858 166.3
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.