CID 3056189

73512-94-4

Structural Information

Molecular Formula
C41H46ClN3O10
SMILES
CCCN(CCC)C(=O)C(CCC(=O)OCCOC(=O)COC(=O)CC1=C(N(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl)C)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C41H46ClN3O10/c1-5-20-44(21-6-2)41(51)34(43-39(49)28-10-8-7-9-11-28)17-19-36(46)53-22-23-54-38(48)26-55-37(47)25-32-27(3)45(35-18-16-31(52-4)24-33(32)35)40(50)29-12-14-30(42)15-13-29/h7-16,18,24,34H,5-6,17,19-23,25-26H2,1-4H3,(H,43,49)
InChIKey
CEVUQSIRFGZGLR-UHFFFAOYSA-N
Compound name
2-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetyl]oxyethyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

775.2872 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 776.29448 280.5
[M+Na]+ 798.27642 278.1
[M-H]- 774.27992 289.5
[M+NH4]+ 793.32102 276.5
[M+K]+ 814.25036 278.8
[M+H-H2O]+ 758.28446 269.2
[M+HCOO]- 820.28540 291.2
[M+CH3COO]- 834.30105 295.6
[M+Na-2H]- 796.26187 271.3
[M]+ 775.28665 296.5
[M]- 775.28775 296.5
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.