CID 85314388

485394-25-0

Structural Information

Molecular Formula
C25H31N3O2
SMILES
CC(C)C1COC(=N1)C2=CC=CC=C2NC3=CC=CC=C3C4=NC(CO4)C(C)(C)C
InChI
InChI=1S/C25H31N3O2/c1-16(2)21-14-29-23(27-21)17-10-6-8-12-19(17)26-20-13-9-7-11-18(20)24-28-22(15-30-24)25(3,4)5/h6-13,16,21-22,26H,14-15H2,1-5H3
InChIKey
FIJNPJIMVUCDHH-UHFFFAOYSA-N
Compound name
N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.24164 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.24892 200.5
[M+Na]+ 428.23086 213.1
[M+NH4]+ 423.27546 207.1
[M+K]+ 444.20480 210.8
[M-H]- 404.23436 209.4
[M+Na-2H]- 426.21631 207.7
[M]+ 405.24109 204.9
[M]- 405.24219 204.9
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

No patent data available for this compound.