CID 71487030

Immh001

Structural Information

Molecular Formula
C23H28N2O3
SMILES
CCCC1=NC(=CO1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCC(CO)(CO)N
InChI
InChI=1S/C23H28N2O3/c1-2-3-22-25-21(14-28-22)20-10-8-19(9-11-20)18-6-4-17(5-7-18)12-13-23(24,15-26)16-27/h4-11,14,26-27H,2-3,12-13,15-16,24H2,1H3
InChIKey
SJXISVAGHMLUDT-UHFFFAOYSA-N
Compound name
2-amino-2-[2-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

4
Patents

380.21 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21728 194.5
[M+Na]+ 403.19922 199.4
[M-H]- 379.20272 200.4
[M+NH4]+ 398.24382 203.3
[M+K]+ 419.17316 194.3
[M+H-H2O]+ 363.20726 185.4
[M+HCOO]- 425.20820 212.0
[M+CH3COO]- 439.22385 217.1
[M+Na-2H]- 401.18467 195.8
[M]+ 380.20945 195.6
[M]- 380.21055 195.6
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.