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

literature stripe

Patent stripe

patents stripe