CID 51810

73520-99-7

Structural Information

Molecular Formula
C43H52ClN5O7
SMILES
CCCN(CCC)C(=O)C(CCC(=O)N1CCN(CC1)CCOC(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C)NC(=O)C5=CC=CC=C5
InChI
InChI=1S/C43H52ClN5O7/c1-5-20-48(21-6-2)43(54)37(45-41(52)31-10-8-7-9-11-31)17-19-39(50)47-24-22-46(23-25-47)26-27-56-40(51)29-35-30(3)49(38-18-16-34(55-4)28-36(35)38)42(53)32-12-14-33(44)15-13-32/h7-16,18,28,37H,5-6,17,19-27,29H2,1-4H3,(H,45,52)
InChIKey
DETKXWJEBZMMNO-UHFFFAOYSA-N
Compound name
2-[4-[4-benzamido-5-(dipropylamino)-5-oxopentanoyl]piperazin-1-yl]ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

785.3555 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 786.36278 280.2
[M+Na]+ 808.34472 288.2
[M+NH4]+ 803.38932 279.9
[M+K]+ 824.31866 285.0
[M-H]- 784.34822 284.1
[M+Na-2H]- 806.33017 283.2
[M]+ 785.35495 282.0
[M]- 785.35605 282.0
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.