CID 87663

18471-22-2

Structural Information

Molecular Formula
C22H27N3O
SMILES
CCN(CC)CCCNC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H27N3O/c1-3-25(4-2)17-11-16-23-22-24-20(18-12-7-5-8-13-18)21(26-22)19-14-9-6-10-15-19/h5-10,12-15H,3-4,11,16-17H2,1-2H3,(H,23,24)
InChIKey
BPGOVPPTXCAFFA-UHFFFAOYSA-N
Compound name
N-(4,5-diphenyl-1,3-oxazol-2-yl)-N',N'-diethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

349.21542 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22270 189.1
[M+Na]+ 372.20464 202.3
[M+NH4]+ 367.24924 196.9
[M+K]+ 388.17858 195.3
[M-H]- 348.20814 197.6
[M+Na-2H]- 370.19009 198.5
[M]+ 349.21487 193.4
[M]- 349.21597 193.4
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