CID 128814

222834-30-2

Structural Information

Molecular Formula
C25H25NO5
SMILES
CCO[C@H](CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3OC4=CC=CC=C42)C(=O)O
InChI
InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m1/s1
InChIKey
WMUIIGVAWPWQAW-XMMPIXPASA-N
Compound name
(2R)-2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

42
References

3531
Patents

419.17328 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.18056 201.2
[M+Na]+ 442.16250 205.6
[M-H]- 418.16600 206.3
[M+NH4]+ 437.20710 208.8
[M+K]+ 458.13644 202.2
[M+H-H2O]+ 402.17054 190.1
[M+HCOO]- 464.17148 214.7
[M+CH3COO]- 478.18713 225.9
[M+Na-2H]- 440.14795 204.4
[M]+ 419.17273 205.1
[M]- 419.17383 205.1
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.