CID 5388857

Nsc639690

Structural Information

Molecular Formula
C18H16N2O3
SMILES
CC(=O)NN1C2=CC=CC=C2/C(=C/C3=CC=C(C=C3)OC)/C1=O
InChI
InChI=1S/C18H16N2O3/c1-12(21)19-20-17-6-4-3-5-15(17)16(18(20)22)11-13-7-9-14(23-2)10-8-13/h3-11H,1-2H3,(H,19,21)/b16-11-
InChIKey
QYPHIBOVHCVFSL-WJDWOHSUSA-N
Compound name
N-[(3Z)-3-[(4-methoxyphenyl)methylidene]-2-oxoindol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1161 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 171.1
[M+Na]+ 331.10532 179.4
[M-H]- 307.10882 177.9
[M+NH4]+ 326.14992 187.2
[M+K]+ 347.07926 174.6
[M+H-H2O]+ 291.11336 163.0
[M+HCOO]- 353.11430 193.2
[M+CH3COO]- 367.12995 207.5
[M+Na-2H]- 329.09077 173.1
[M]+ 308.11555 172.5
[M]- 308.11665 172.5
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.