CID 42589

Brn 0465985

Structural Information

Molecular Formula
C26H26ClNO7
SMILES
CCOC(=O)C(C(=O)CC1=C(N(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl)C)C(=O)OCC
InChI
InChI=1S/C26H26ClNO7/c1-5-34-25(31)23(26(32)35-6-2)22(29)14-19-15(3)28(21-12-11-18(33-4)13-20(19)21)24(30)16-7-9-17(27)10-8-16/h7-13,23H,5-6,14H2,1-4H3
InChIKey
HLEVUODDKUBNNF-UHFFFAOYSA-N
Compound name
diethyl 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

499.13977 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.14705 213.1
[M+Na]+ 522.12899 224.7
[M+NH4]+ 517.17359 216.4
[M+K]+ 538.10293 222.0
[M-H]- 498.13249 213.4
[M+Na-2H]- 520.11444 215.7
[M]+ 499.13922 214.8
[M]- 499.14032 214.8
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.