CID 266606

Nsc105328

Structural Information

Molecular Formula
C16H10N4O2
SMILES
C1=CC=C2C(=C1)C=C(N2N=O)C3=CN(C4=CC=CC=C43)N=O
InChI
InChI=1S/C16H10N4O2/c21-17-19-10-13(12-6-2-4-8-15(12)19)16-9-11-5-1-3-7-14(11)20(16)18-22/h1-10H
InChIKey
LVYGCKVTXVXGPH-UHFFFAOYSA-N
Compound name
1-nitroso-2-(1-nitrosoindol-3-yl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

290.08038 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08766 160.9
[M+Na]+ 313.06960 174.1
[M-H]- 289.07310 171.9
[M+NH4]+ 308.11420 180.4
[M+K]+ 329.04354 169.8
[M+H-H2O]+ 273.07764 152.0
[M+HCOO]- 335.07858 191.7
[M+CH3COO]- 349.09423 175.9
[M+Na-2H]- 311.05505 169.3
[M]+ 290.07983 169.1
[M]- 290.08093 169.1
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

patents stripe