CID 71249

Diprafenone

Structural Information

Molecular Formula
C23H31NO3
SMILES
CCC(C)(C)NCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O
InChI
InChI=1S/C23H31NO3/c1-4-23(2,3)24-16-19(25)17-27-22-13-9-8-12-20(22)21(26)15-14-18-10-6-5-7-11-18/h5-13,19,24-25H,4,14-17H2,1-3H3
InChIKey
VDKMYSMWQCFYBQ-UHFFFAOYSA-N
Compound name
1-[2-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]phenyl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

541
Patents

369.2304 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.23768 193.5
[M+Na]+ 392.21962 195.5
[M-H]- 368.22312 197.3
[M+NH4]+ 387.26422 204.1
[M+K]+ 408.19356 191.5
[M+H-H2O]+ 352.22766 184.7
[M+HCOO]- 414.22860 211.4
[M+CH3COO]- 428.24425 219.8
[M+Na-2H]- 390.20507 194.4
[M]+ 369.22985 195.3
[M]- 369.23095 195.3
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