CID 215781

36233-23-5

Structural Information

Molecular Formula
C23H25NO7
SMILES
CC1=C(C2=C(N1CC(=O)OCC(CO)O)C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H25NO7/c1-14-22(23(28)15-4-6-17(29-2)7-5-15)19-9-8-18(30-3)10-20(19)24(14)11-21(27)31-13-16(26)12-25/h4-10,16,25-26H,11-13H2,1-3H3
InChIKey
XIHPEBVUCKXYGP-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 2-[6-methoxy-3-(4-methoxybenzoyl)-2-methylindol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.16312 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.17040 200.9
[M+Na]+ 450.15234 211.8
[M+NH4]+ 445.19694 204.4
[M+K]+ 466.12628 209.6
[M-H]- 426.15584 201.0
[M+Na-2H]- 448.13779 203.5
[M]+ 427.16257 202.1
[M]- 427.16367 202.1
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.