CID 42590

Brn 0464897

Structural Information

Molecular Formula
C24H22ClNO7
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)C(C(=O)OC)C(=O)OC
InChI
InChI=1S/C24H22ClNO7/c1-13-17(12-20(27)21(23(29)32-3)24(30)33-4)18-11-16(31-2)9-10-19(18)26(13)22(28)14-5-7-15(25)8-6-14/h5-11,21H,12H2,1-4H3
InChIKey
BZTJIEPOQQSJDS-UHFFFAOYSA-N
Compound name
dimethyl 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.1085 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.11578 205.2
[M+Na]+ 494.09772 213.3
[M-H]- 470.10122 212.6
[M+NH4]+ 489.14232 215.5
[M+K]+ 510.07166 210.5
[M+H-H2O]+ 454.10576 197.7
[M+HCOO]- 516.10670 219.4
[M+CH3COO]- 530.12235 235.0
[M+Na-2H]- 492.08317 201.1
[M]+ 471.10795 217.6
[M]- 471.10905 217.6
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.