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 274.7
[M+Na]+ 798.27642 281.2
[M+NH4]+ 793.32102 273.2
[M+K]+ 814.25036 279.7
[M-H]- 774.27992 275.9
[M+Na-2H]- 796.26187 276.1
[M]+ 775.28665 275.4
[M]- 775.28775 275.4
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.