CID 135705571

1,3-dihydro-3-(1,3-dihydro-3-oxo-2h-indol-2-ylidene)-2h-indol-2-one 2-oxime

Structural Information

Molecular Formula
C16H11N3O2
SMILES
C1=CC=C2C(=C1)C(=C(N2)N=O)C3=C(C4=CC=CC=C4N3)O
InChI
InChI=1S/C16H11N3O2/c20-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)19-21/h1-8,17-18,20H
InChIKey
ZRFSLJVBJSMYTG-UHFFFAOYSA-N
Compound name
2-(2-nitroso-1H-indol-3-yl)-1H-indol-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0851 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09238 158.4
[M+Na]+ 300.07432 170.6
[M-H]- 276.07782 164.2
[M+NH4]+ 295.11892 176.2
[M+K]+ 316.04826 163.7
[M+H-H2O]+ 260.08236 151.2
[M+HCOO]- 322.08330 182.1
[M+CH3COO]- 336.09895 171.4
[M+Na-2H]- 298.05977 164.7
[M]+ 277.08455 161.0
[M]- 277.08565 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.