CID 3039176

Brn 1042235

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]+ 400.259476 205.3
[M+Na]+ 422.241418 208.1
[M-H]- 398.244924 213.1
[M+NH4]+ 417.286023 215.9
[M+K]+ 438.215358 207.4
[M+H-H2O]+ 382.249460 195.1
[M+HCOO]- 444.250401 227.1
[M+CH3COO]- 458.266051 235.2
[M+Na-2H]- 420.226866 202.4
[M]+ 399.25165142 212.7
[M]- 399.25274858 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.