CID 269973

Nsc111852

Structural Information

Molecular Formula
C16H12N4O4
SMILES
CC(=O)N1C2=CC=CC=C2C(=C1O)N=NC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C16H12N4O4/c1-10(21)19-13-8-4-2-6-11(13)15(16(19)22)18-17-12-7-3-5-9-14(12)20(23)24/h2-9,22H,1H3
InChIKey
BUUSRMPLZKUKHR-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-3-[(2-nitrophenyl)diazenyl]indol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.08585 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09313 169.7
[M+Na]+ 347.07507 177.6
[M-H]- 323.07857 178.6
[M+NH4]+ 342.11967 184.3
[M+K]+ 363.04901 170.3
[M+H-H2O]+ 307.08311 165.2
[M+HCOO]- 369.08405 198.0
[M+CH3COO]- 383.09970 208.2
[M+Na-2H]- 345.06052 177.7
[M]+ 324.08530 171.9
[M]- 324.08640 171.9
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.