CID 6476997

13672-24-7

Structural Information

Molecular Formula
C19H17NO3
SMILES
CCOC(=O)/C=C/1\C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C19H17NO3/c1-2-23-18(21)12-16-15-10-6-7-11-17(15)20(19(16)22)13-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3/b16-12+
InChIKey
KHQUBSSRZHHZFH-FOWTUZBSSA-N
Compound name
ethyl (2E)-2-(1-benzyl-2-oxoindol-3-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

307.12085 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 172.4
[M+Na]+ 330.11007 180.3
[M-H]- 306.11357 178.7
[M+NH4]+ 325.15467 188.6
[M+K]+ 346.08401 175.2
[M+H-H2O]+ 290.11811 164.2
[M+HCOO]- 352.11905 193.1
[M+CH3COO]- 366.13470 204.2
[M+Na-2H]- 328.09552 173.9
[M]+ 307.12030 174.3
[M]- 307.12140 174.3
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.