CID 373484

Nsc649839

Structural Information

Molecular Formula
C18H17NO4
SMILES
COC1=C(C=C(C=C1)CCN2C3=CC=CC=C3C(=O)C2=O)OC
InChI
InChI=1S/C18H17NO4/c1-22-15-8-7-12(11-16(15)23-2)9-10-19-14-6-4-3-5-13(14)17(20)18(19)21/h3-8,11H,9-10H2,1-2H3
InChIKey
HWZYMNBSJPIULI-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethyl]indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 170.7
[M+Na]+ 334.10497 180.5
[M-H]- 310.10847 177.7
[M+NH4]+ 329.14957 187.3
[M+K]+ 350.07891 176.4
[M+H-H2O]+ 294.11301 162.7
[M+HCOO]- 356.11395 192.6
[M+CH3COO]- 370.12960 207.0
[M+Na-2H]- 332.09042 172.7
[M]+ 311.11520 176.0
[M]- 311.11630 176.0
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.