CID 5288600

Ic261

Structural Information

Molecular Formula
C18H17NO4
SMILES
COC1=CC(=C(C(=C1)OC)/C=C/2\C3=CC=CC=C3NC2=O)OC
InChI
InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+
InChIKey
JBJYTZXCZDNOJW-JLHYYAGUSA-N
Compound name
(3E)-3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

54
References

82
Patents

311.11575 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 171.3
[M+Na]+ 334.10497 180.8
[M-H]- 310.10847 177.1
[M+NH4]+ 329.14957 187.3
[M+K]+ 350.07891 175.9
[M+H-H2O]+ 294.11301 163.7
[M+HCOO]- 356.11395 191.8
[M+CH3COO]- 370.12960 204.0
[M+Na-2H]- 332.09042 172.9
[M]+ 311.11520 174.8
[M]- 311.11630 174.8
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