CID 215780

36233-19-9

Structural Information

Molecular Formula
C22H22ClNO6
SMILES
CC1=C(C2=C(N1CC(=O)OCC(CO)O)C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H22ClNO6/c1-13-21(22(28)14-3-5-15(23)6-4-14)18-8-7-17(29-2)9-19(18)24(13)10-20(27)30-12-16(26)11-25/h3-9,16,25-26H,10-12H2,1-2H3
InChIKey
ABRLCTQFNJRQJL-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 2-[3-(4-chlorobenzoyl)-6-methoxy-2-methylindol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.11356 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.12084 199.0
[M+Na]+ 454.10278 211.5
[M+NH4]+ 449.14738 203.7
[M+K]+ 470.07672 208.0
[M-H]- 430.10628 199.8
[M+Na-2H]- 452.08823 202.4
[M]+ 431.11301 201.1
[M]- 431.11411 201.1
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.