CID 388108

Nsc682573

Structural Information

Molecular Formula
C16H13N3O2
SMILES
C1=CC=C(C=C1)CC(=O)N=NC2=C(NC3=CC=CC=C32)O
InChI
InChI=1S/C16H13N3O2/c20-14(10-11-6-2-1-3-7-11)18-19-15-12-8-4-5-9-13(12)17-16(15)21/h1-9,17,21H,10H2
InChIKey
ODEGIZBDYBJTTG-UHFFFAOYSA-N
Compound name
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

279.10077 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 160.8
[M+Na]+ 302.08999 169.1
[M-H]- 278.09349 167.9
[M+NH4]+ 297.13459 177.5
[M+K]+ 318.06393 164.4
[M+H-H2O]+ 262.09803 152.3
[M+HCOO]- 324.09897 187.1
[M+CH3COO]- 338.11462 173.2
[M+Na-2H]- 300.07544 167.8
[M]+ 279.10022 162.2
[M]- 279.10132 162.2
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.