CID 3039176

42469-73-8

Structural Information

Molecular Formula
C23H33N3O3
SMILES
CCCN(CCC)C(=O)C1=C(OC(=N1)C2=CC=CC=C2)C(=O)N(CCC)CCC
InChI
InChI=1S/C23H33N3O3/c1-5-14-25(15-6-2)22(27)19-20(23(28)26(16-7-3)17-8-4)29-21(24-19)18-12-10-9-11-13-18/h9-13H,5-8,14-17H2,1-4H3
InChIKey
IZRWGHIRXOXZOZ-UHFFFAOYSA-N
Compound name
2-phenyl-4-N,4-N,5-N,5-N-tetrapropyl-1,3-oxazole-4,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.2522 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.25948 205.3
[M+Na]+ 422.24142 208.1
[M-H]- 398.24492 213.1
[M+NH4]+ 417.28602 215.9
[M+K]+ 438.21536 207.4
[M+H-H2O]+ 382.24946 195.1
[M+HCOO]- 444.25040 227.1
[M+CH3COO]- 458.26605 235.2
[M+Na-2H]- 420.22687 202.4
[M]+ 399.25165 212.7
[M]- 399.25275 212.7
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

No patent data available for this compound.