CID 2738924

5-(4-methoxyphenyl)-n-[(5-methyl-2-phenyl-4-triazolyl)methyl]-4-oxazolecarboxamide

Structural Information

Molecular Formula
C21H19N5O3
SMILES
CC1=NN(N=C1CNC(=O)C2=C(OC=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C21H19N5O3/c1-14-18(25-26(24-14)16-6-4-3-5-7-16)12-22-21(27)19-20(29-13-23-19)15-8-10-17(28-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,22,27)
InChIKey
XQSPWVRPKGJIDF-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1,3-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

389.1488 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.156076 189.9
[M+Na]+ 412.138018 199.0
[M-H]- 388.141524 200.1
[M+NH4]+ 407.182623 197.4
[M+K]+ 428.111958 194.6
[M+H-H2O]+ 372.146060 178.4
[M+HCOO]- 434.147001 211.8
[M+CH3COO]- 448.162651 200.3
[M+Na-2H]- 410.123466 191.1
[M]+ 389.14825142 195.4
[M]- 389.14934858 195.4
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.