CID 390772

Nsc688535

Structural Information

Molecular Formula
C22H20N2O4
SMILES
COC(=O)CC1=C(NC2=CC=CC=C21)C3=C(C4=CC=CC=C4N3)CC(=O)OC
InChI
InChI=1S/C22H20N2O4/c1-27-19(25)11-15-13-7-3-5-9-17(13)23-21(15)22-16(12-20(26)28-2)14-8-4-6-10-18(14)24-22/h3-10,23-24H,11-12H2,1-2H3
InChIKey
GYWJQUMLHUUBEH-UHFFFAOYSA-N
Compound name
methyl 2-[2-[3-(2-methoxy-2-oxoethyl)-1H-indol-2-yl]-1H-indol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

376.1423 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14958 189.8
[M+Na]+ 399.13152 199.1
[M-H]- 375.13502 194.9
[M+NH4]+ 394.17612 203.5
[M+K]+ 415.10546 193.2
[M+H-H2O]+ 359.13956 182.0
[M+HCOO]- 421.14050 208.7
[M+CH3COO]- 435.15615 200.0
[M+Na-2H]- 397.11697 190.0
[M]+ 376.14175 195.4
[M]- 376.14285 195.4
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

No patent data available for this compound.