CID 392236

Nsc692369

Structural Information

Molecular Formula
C26H28N2O4
SMILES
COC(=O)CCCC1=C(NC2=CC=CC=C21)C3=C(C4=CC=CC=C4N3)CCCC(=O)OC
InChI
InChI=1S/C26H28N2O4/c1-31-23(29)15-7-11-19-17-9-3-5-13-21(17)27-25(19)26-20(12-8-16-24(30)32-2)18-10-4-6-14-22(18)28-26/h3-6,9-10,13-14,27-28H,7-8,11-12,15-16H2,1-2H3
InChIKey
ZNTBTLVGGWWYMV-UHFFFAOYSA-N
Compound name
methyl 4-[2-[3-(4-methoxy-4-oxobutyl)-1H-indol-2-yl]-1H-indol-3-yl]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2049 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.21218 207.9
[M+Na]+ 455.19412 215.3
[M-H]- 431.19762 212.1
[M+NH4]+ 450.23872 219.1
[M+K]+ 471.16806 208.5
[M+H-H2O]+ 415.20216 199.3
[M+HCOO]- 477.20310 225.3
[M+CH3COO]- 491.21875 224.6
[M+Na-2H]- 453.17957 206.0
[M]+ 432.20435 214.7
[M]- 432.20545 214.7
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.