CID 6447082

Brn 0432951

Structural Information

Molecular Formula
C17H13N3O3
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=C/C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H13N3O3/c21-17(19-13-4-3-5-14(10-13)20(22)23)9-8-12-11-18-16-7-2-1-6-15(12)16/h1-11,18H,(H,19,21)/b9-8+
InChIKey
VHOQNSRQCFXHKJ-CMDGGOBGSA-N
Compound name
(E)-3-(1H-indol-3-yl)-N-(3-nitrophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0957 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10298 168.0
[M+Na]+ 330.08492 181.5
[M+NH4]+ 325.12952 175.0
[M+K]+ 346.05886 178.7
[M-H]- 306.08842 172.7
[M+Na-2H]- 328.07037 175.3
[M]+ 307.09515 170.9
[M]- 307.09625 170.9
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.