CID 1749978

Rpi-1

Structural Information

Molecular Formula
C17H15NO4
SMILES
COC1=C(C=C2C(=C1)/C(=C/C3=CC=C(C=C3)O)/C(=O)N2)OC
InChI
InChI=1S/C17H15NO4/c1-21-15-8-12-13(7-10-3-5-11(19)6-4-10)17(20)18-14(12)9-16(15)22-2/h3-9,19H,1-2H3,(H,18,20)/b13-7-
InChIKey
JGSMCYNBVCGIHC-QPEQYQDCSA-N
Compound name
(3Z)-3-[(4-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

353
Patents

297.1001 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10738 167.1
[M+Na]+ 320.08932 176.6
[M-H]- 296.09282 171.7
[M+NH4]+ 315.13392 183.0
[M+K]+ 336.06326 171.1
[M+H-H2O]+ 280.09736 160.0
[M+HCOO]- 342.09830 186.4
[M+CH3COO]- 356.11395 198.7
[M+Na-2H]- 318.07477 168.8
[M]+ 297.09955 168.5
[M]- 297.10065 168.5
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