CID 3003735

Nsc10176

Structural Information

Molecular Formula
C15H17NO5
SMILES
CCO/C=C\1/C2=CC(=C(C=C2N(C1=O)C(=O)C)OC)OC
InChI
InChI=1S/C15H17NO5/c1-5-21-8-11-10-6-13(19-3)14(20-4)7-12(10)16(9(2)17)15(11)18/h6-8H,5H2,1-4H3/b11-8-
InChIKey
XSMSHNRYVXACCQ-FLIBITNWSA-N
Compound name
(3Z)-1-acetyl-3-(ethoxymethylidene)-5,6-dimethoxyindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1107 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11798 163.5
[M+Na]+ 314.09992 173.4
[M-H]- 290.10342 167.4
[M+NH4]+ 309.14452 181.4
[M+K]+ 330.07386 171.1
[M+H-H2O]+ 274.10796 157.4
[M+HCOO]- 336.10890 184.5
[M+CH3COO]- 350.12455 203.2
[M+Na-2H]- 312.08537 164.1
[M]+ 291.11015 170.5
[M]- 291.11125 170.5
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.