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 200.0
[M+Na]+ 450.15234 206.5
[M-H]- 426.15584 204.3
[M+NH4]+ 445.19694 209.7
[M+K]+ 466.12628 203.9
[M+H-H2O]+ 410.16038 191.5
[M+HCOO]- 472.16132 217.3
[M+CH3COO]- 486.17697 225.2
[M+Na-2H]- 448.13779 197.6
[M]+ 427.16257 208.4
[M]- 427.16367 208.4
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.