CID 392215

Nsc692348

Structural Information

Molecular Formula
C22H20N2O5
SMILES
COC(=O)CC1=C(NC2=CC=CC=C21)C3=NC4=CC=CC=C4C3(CC(=O)OC)O
InChI
InChI=1S/C22H20N2O5/c1-28-18(25)11-14-13-7-3-5-9-16(13)23-20(14)21-22(27,12-19(26)29-2)15-8-4-6-10-17(15)24-21/h3-10,23,27H,11-12H2,1-2H3
InChIKey
WBWVDTAYKSZQHO-UHFFFAOYSA-N
Compound name
methyl 2-[2-[3-hydroxy-3-(2-methoxy-2-oxoethyl)indol-2-yl]-1H-indol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1372 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.14448 192.7
[M+Na]+ 415.12642 201.9
[M-H]- 391.12992 197.6
[M+NH4]+ 410.17102 207.5
[M+K]+ 431.10036 197.0
[M+H-H2O]+ 375.13446 185.1
[M+HCOO]- 437.13540 210.4
[M+CH3COO]- 451.15105 215.1
[M+Na-2H]- 413.11187 193.5
[M]+ 392.13665 198.7
[M]- 392.13775 198.7
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.