CID 3802861

Nsc4810

Structural Information

Molecular Formula
C14H9N5O5
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H9N5O5/c20-14-13(9-3-1-2-4-10(9)15-14)17-16-11-6-5-8(18(21)22)7-12(11)19(23)24/h1-7,15,20H
InChIKey
PLKSEHVSFQIVNZ-UHFFFAOYSA-N
Compound name
3-[(2,4-dinitrophenyl)diazenyl]-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

327.06036 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.06764 165.9
[M+Na]+ 350.04958 171.4
[M-H]- 326.05308 173.1
[M+NH4]+ 345.09418 177.8
[M+K]+ 366.02352 159.7
[M+H-H2O]+ 310.05762 165.5
[M+HCOO]- 372.05856 193.6
[M+CH3COO]- 386.07421 200.3
[M+Na-2H]- 348.03503 177.5
[M]+ 327.05981 163.6
[M]- 327.06091 163.6
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

patents stripe