CID 135511274

5-ethoxy-3-(2-pyridylimino)indolin-2-one

Structural Information

Molecular Formula
C15H13N3O2
SMILES
CCOC1=CC2=C(C=C1)NC(=O)C2=NC3=CC=CC=N3
InChI
InChI=1S/C15H13N3O2/c1-2-20-10-6-7-12-11(9-10)14(15(19)17-12)18-13-5-3-4-8-16-13/h3-9H,2H2,1H3,(H,16,17,18,19)
InChIKey
PMQMKXXQDDVKGX-UHFFFAOYSA-N
Compound name
5-ethoxy-3-pyridin-2-ylimino-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.10077 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 159.4
[M+Na]+ 290.08999 168.2
[M-H]- 266.09349 164.7
[M+NH4]+ 285.13459 175.7
[M+K]+ 306.06393 163.2
[M+H-H2O]+ 250.09803 150.5
[M+HCOO]- 312.09897 181.8
[M+CH3COO]- 326.11462 171.4
[M+Na-2H]- 288.07544 164.7
[M]+ 267.10022 159.8
[M]- 267.10132 159.8
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.