CID 214425

33161-82-9

Structural Information

Molecular Formula
C24H26N2O5
SMILES
CC(=O)OCCN(CCOC(=O)C)CC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H26N2O5/c1-18(27)29-15-13-26(14-16-30-19(2)28)17-22-25-23(20-9-5-3-6-10-20)24(31-22)21-11-7-4-8-12-21/h3-12H,13-17H2,1-2H3
InChIKey
QFKJWQNJCIJUMT-UHFFFAOYSA-N
Compound name
2-[2-acetyloxyethyl-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]amino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

422.18417 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.19145 203.8
[M+Na]+ 445.17339 207.5
[M-H]- 421.17689 213.6
[M+NH4]+ 440.21799 212.2
[M+K]+ 461.14733 206.3
[M+H-H2O]+ 405.18143 192.9
[M+HCOO]- 467.18237 225.4
[M+CH3COO]- 481.19802 229.9
[M+Na-2H]- 443.15884 203.1
[M]+ 422.18362 210.9
[M]- 422.18472 210.9
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

patents stripe