CID 25271555

2-amino-n,n-bis(phenylmethyl)-1,3-oxazole-5-carboxamide

Structural Information

Molecular Formula
C18H17N3O2
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CN=C(O3)N
InChI
InChI=1S/C18H17N3O2/c19-18-20-11-16(23-18)17(22)21(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H2,19,20)
InChIKey
KIJXWOGFYAWTNC-UHFFFAOYSA-N
Compound name
2-amino-N,N-dibenzyl-1,3-oxazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5
Patents

307.13208 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13936 172.1
[M+Na]+ 330.12130 177.4
[M-H]- 306.12480 182.0
[M+NH4]+ 325.16590 184.9
[M+K]+ 346.09524 175.0
[M+H-H2O]+ 290.12934 162.2
[M+HCOO]- 352.13028 196.6
[M+CH3COO]- 366.14593 183.3
[M+Na-2H]- 328.10675 175.9
[M]+ 307.13153 172.6
[M]- 307.13263 172.6
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

patents stripe