CID 135857069

Ml087

Structural Information

Molecular Formula
C17H15N3O2
SMILES
C=CCN1C2=CC=CC=C2C(=C1O)N=NC3=CC=CC=C3O
InChI
InChI=1S/C17H15N3O2/c1-2-11-20-14-9-5-3-7-12(14)16(17(20)22)19-18-13-8-4-6-10-15(13)21/h2-10,21-22H,1,11H2
InChIKey
BGWLQENWEYEDFQ-UHFFFAOYSA-N
Compound name
3-[(2-hydroxyphenyl)diazenyl]-1-prop-2-enylindol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

293.11642 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.123696 165.6
[M+Na]+ 316.105638 175.6
[M-H]- 292.109144 173.2
[M+NH4]+ 311.150243 182.4
[M+K]+ 332.079578 170.1
[M+H-H2O]+ 276.113680 157.2
[M+HCOO]- 338.114621 192.5
[M+CH3COO]- 352.130271 207.4
[M+Na-2H]- 314.091086 171.8
[M]+ 293.11587142 168.8
[M]- 293.11696858 168.8
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.