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

literature stripe

Patent stripe

patents stripe