CID 3776068

1224946-21-7

Structural Information

Molecular Formula
C14H10N4O3
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H10N4O3/c19-14-13(11-3-1-2-4-12(11)15-14)17-16-9-5-7-10(8-6-9)18(20)21/h1-8,15,19H
InChIKey
HHJYHWPKXWRLIE-UHFFFAOYSA-N
Compound name
3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

282.0753 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08258 156.2
[M+Na]+ 305.06452 164.0
[M-H]- 281.06802 163.7
[M+NH4]+ 300.10912 171.9
[M+K]+ 321.03846 155.7
[M+H-H2O]+ 265.07256 152.2
[M+HCOO]- 327.07350 184.6
[M+CH3COO]- 341.08915 197.1
[M+Na-2H]- 303.04997 166.7
[M]+ 282.07475 155.8
[M]- 282.07585 155.8
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