CID 269974

20096-30-4

Structural Information

Molecular Formula
C15H12N4O3
SMILES
CN1C2=CC=CC=C2C(=C1O)N=NC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C15H12N4O3/c1-18-12-8-4-2-6-10(12)14(15(18)20)17-16-11-7-3-5-9-13(11)19(21)22/h2-9,20H,1H3
InChIKey
KSXBEFIYNYXYBD-UHFFFAOYSA-N
Compound name
1-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

296.09094 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09822 162.6
[M+Na]+ 319.08016 171.2
[M-H]- 295.08366 171.6
[M+NH4]+ 314.12476 178.6
[M+K]+ 335.05410 163.5
[M+H-H2O]+ 279.08820 158.2
[M+HCOO]- 341.08914 191.9
[M+CH3COO]- 355.10479 203.8
[M+Na-2H]- 317.06561 172.0
[M]+ 296.09039 164.6
[M]- 296.09149 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.