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

literature stripe

Patent stripe

patents stripe