CID 135537725

Brn 1487094

Structural Information

Molecular Formula
C18H14N2O3
SMILES
CC(=O)/C(=C(/C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)\O)/N=O
InChI
InChI=1S/C18H14N2O3/c1-11(21)16(20-23)18(22)15-13-9-5-6-10-14(13)19-17(15)12-7-3-2-4-8-12/h2-10,19,22H,1H3/b18-16+
InChIKey
NBNIXHRNSOFCFA-FBMGVBCBSA-N
Compound name
(E)-4-hydroxy-3-nitroso-4-(2-phenyl-1H-indol-3-yl)but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.10043 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10771 169.9
[M+Na]+ 329.08965 182.1
[M+NH4]+ 324.13425 176.3
[M+K]+ 345.06359 178.2
[M-H]- 305.09315 172.5
[M+Na-2H]- 327.07510 176.5
[M]+ 306.09988 172.1
[M]- 306.10098 172.1
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.