CID 53806817

198705-81-6

Structural Information

Molecular Formula
C23H30N2O6
SMILES
CCCC1=NOC(=O)C1=CC2=CC=C(C=C2)N(CC(=O)OCCC)CC(=O)OCCC
InChI
InChI=1S/C23H30N2O6/c1-4-7-20-19(23(28)31-24-20)14-17-8-10-18(11-9-17)25(15-21(26)29-12-5-2)16-22(27)30-13-6-3/h8-11,14H,4-7,12-13,15-16H2,1-3H3
InChIKey
FMHBMPNWRHAINT-UHFFFAOYSA-N
Compound name
propyl 2-[N-(2-oxo-2-propoxyethyl)-4-[(5-oxo-3-propyl-1,2-oxazol-4-ylidene)methyl]anilino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

430.2104 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.21768 206.2
[M+Na]+ 453.19962 209.7
[M-H]- 429.20312 212.6
[M+NH4]+ 448.24422 215.0
[M+K]+ 469.17356 208.7
[M+H-H2O]+ 413.20766 196.6
[M+HCOO]- 475.20860 226.1
[M+CH3COO]- 489.22425 232.7
[M+Na-2H]- 451.18507 202.7
[M]+ 430.20985 214.8
[M]- 430.21095 214.8
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