CID 5272143

112270-43-6

Structural Information

Molecular Formula
C23H32N2O3
SMILES
CC1=NOC(=C1)CCCCCCCOC2=CC=C(C=C2)C3=N[C@H](CO3)C(C)C
InChI
InChI=1S/C23H32N2O3/c1-17(2)22-16-27-23(24-22)19-10-12-20(13-11-19)26-14-8-6-4-5-7-9-21-15-18(3)25-28-21/h10-13,15,17,22H,4-9,14,16H2,1-3H3/t22-/m1/s1
InChIKey
KLHDQXLZRZRIFP-JOCHJYFZSA-N
Compound name
3-methyl-5-[7-[4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]heptyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

384.2413 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.24858 197.5
[M+Na]+ 407.23052 202.5
[M-H]- 383.23402 205.3
[M+NH4]+ 402.27512 207.2
[M+K]+ 423.20446 200.5
[M+H-H2O]+ 367.23856 188.2
[M+HCOO]- 429.23950 215.3
[M+CH3COO]- 443.25515 220.6
[M+Na-2H]- 405.21597 194.4
[M]+ 384.24075 204.2
[M]- 384.24185 204.2
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