CID 5273094

N,n-dimethyl-2-[5-(3-methylisoxazol-5-yl)pentoxy]-5-oxazol-5-yl-aniline

Structural Information

Molecular Formula
C20H25N3O3
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=CN=CO3)N(C)C
InChI
InChI=1S/C20H25N3O3/c1-15-11-17(26-22-15)7-5-4-6-10-24-19-9-8-16(12-18(19)23(2)3)20-13-21-14-25-20/h8-9,11-14H,4-7,10H2,1-3H3
InChIKey
XFYRHZPDYIMPNU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]-5-(1,3-oxazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.1896 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.19688 186.1
[M+Na]+ 378.17882 194.0
[M-H]- 354.18232 196.6
[M+NH4]+ 373.22342 197.5
[M+K]+ 394.15276 193.0
[M+H-H2O]+ 338.18686 176.6
[M+HCOO]- 400.18780 210.3
[M+CH3COO]- 414.20345 218.7
[M+Na-2H]- 376.16427 187.4
[M]+ 355.18905 195.7
[M]- 355.19015 195.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.