CID 40938

Brn 0459455

Structural Information

Molecular Formula
C26H25NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=C2)C3=CN(C4=CC=CC=C43)CC(=O)O
InChI
InChI=1S/C26H25NO5/c1-30-22-13-18(14-23(31-2)26(22)32-3)25(17-9-5-4-6-10-17)20-15-27(16-24(28)29)21-12-8-7-11-19(20)21/h4-15,25H,16H2,1-3H3,(H,28,29)
InChIKey
JOHJZEAIAWYLRX-UHFFFAOYSA-N
Compound name
2-[3-[phenyl-(3,4,5-trimethoxyphenyl)methyl]indol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.17328 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.18056 204.7
[M+Na]+ 454.16250 211.9
[M-H]- 430.16600 213.5
[M+NH4]+ 449.20710 214.6
[M+K]+ 470.13644 207.5
[M+H-H2O]+ 414.17054 194.5
[M+HCOO]- 476.17148 224.0
[M+CH3COO]- 490.18713 228.3
[M+Na-2H]- 452.14795 203.8
[M]+ 431.17273 211.6
[M]- 431.17383 211.6
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.