CID 10134976

Dtxcid0027307

Structural Information

Molecular Formula
C23H22N2O4
SMILES
CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=CC4=C3C=CN4CCC(=O)O
InChI
InChI=1S/C23H22N2O4/c1-16-19(24-23(29-16)17-6-3-2-4-7-17)12-15-28-21-9-5-8-20-18(21)10-13-25(20)14-11-22(26)27/h2-10,13H,11-12,14-15H2,1H3,(H,26,27)
InChIKey
OMSPUVWUIHNYCS-UHFFFAOYSA-N
Compound name
3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

390.15796 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.165236 192.9
[M+Na]+ 413.147178 201.5
[M-H]- 389.150684 201.6
[M+NH4]+ 408.191783 204.0
[M+K]+ 429.121118 197.2
[M+H-H2O]+ 373.155220 183.9
[M+HCOO]- 435.156161 213.1
[M+CH3COO]- 449.171811 203.4
[M+Na-2H]- 411.132626 192.9
[M]+ 390.15741142 199.9
[M]- 390.15850858 199.9
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

patents stripe