CID 6481925

1-methyl-3-[(e)-2-nitrovinyl]-2-phenyl-indole

Structural Information

Molecular Formula
C17H14N2O2
SMILES
CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C17H14N2O2/c1-18-16-10-6-5-9-14(16)15(11-12-19(20)21)17(18)13-7-3-2-4-8-13/h2-12H,1H3/b12-11+
InChIKey
CIERUDOJKHJVOR-VAWYXSNFSA-N
Compound name
1-methyl-3-[(E)-2-nitroethenyl]-2-phenylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.10553 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 164.0
[M+Na]+ 301.09475 172.8
[M-H]- 277.09825 171.1
[M+NH4]+ 296.13935 180.8
[M+K]+ 317.06869 163.2
[M+H-H2O]+ 261.10279 160.4
[M+HCOO]- 323.10373 189.2
[M+CH3COO]- 337.11938 194.3
[M+Na-2H]- 299.08020 170.9
[M]+ 278.10498 164.6
[M]- 278.10608 164.6
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.