CID 5272141

112270-41-4

Structural Information

Molecular Formula
C23H32N2O3
SMILES
CCC[C@H]1COC(=N1)C2=CC=C(C=C2)OCCCCCCCC3=CC(=NO3)C
InChI
InChI=1S/C23H32N2O3/c1-3-9-20-17-27-23(24-20)19-11-13-21(14-12-19)26-15-8-6-4-5-7-10-22-16-18(2)25-28-22/h11-14,16,20H,3-10,15,17H2,1-2H3/t20-/m0/s1
InChIKey
IHJKZKKDGUUCCM-FQEVSTJZSA-N
Compound name
3-methyl-5-[7-[4-[(4S)-4-propyl-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

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.24858 196.7
[M+Na]+ 407.23052 202.0
[M-H]- 383.23402 204.3
[M+NH4]+ 402.27512 206.5
[M+K]+ 423.20446 199.5
[M+H-H2O]+ 367.23856 187.2
[M+HCOO]- 429.23950 215.5
[M+CH3COO]- 443.25515 219.7
[M+Na-2H]- 405.21597 194.7
[M]+ 384.24075 203.9
[M]- 384.24185 203.9
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