CID 5388854

Nsc639687

Structural Information

Molecular Formula
C16H14N2O2
SMILES
COC1=CC=C(C=C1)/C=N/N2C(=O)CC3=CC=CC=C32
InChI
InChI=1S/C16H14N2O2/c1-20-14-8-6-12(7-9-14)11-17-18-15-5-3-2-4-13(15)10-16(18)19/h2-9,11H,10H2,1H3/b17-11+
InChIKey
UITQBCVHKGGRFX-GZTJUZNOSA-N
Compound name
1-[(E)-(4-methoxyphenyl)methylideneamino]-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 159.2
[M+Na]+ 289.09475 168.0
[M-H]- 265.09825 167.1
[M+NH4]+ 284.13935 177.6
[M+K]+ 305.06869 163.9
[M+H-H2O]+ 249.10279 150.8
[M+HCOO]- 311.10373 184.1
[M+CH3COO]- 325.11938 201.1
[M+Na-2H]- 287.08020 164.4
[M]+ 266.10498 161.2
[M]- 266.10608 161.2
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.