CID 10992644

Chembl469485

Structural Information

Molecular Formula
C24H23N3O2
SMILES
CN(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CCC4=CC=CC=C4
InChI
InChI=1S/C24H23N3O2/c1-27(2)20-12-9-18(10-13-20)24-26-21-16-19(11-14-22(21)29-24)25-23(28)15-8-17-6-4-3-5-7-17/h3-7,9-14,16H,8,15H2,1-2H3,(H,25,28)
InChIKey
CYRDGLGDFZPEDZ-UHFFFAOYSA-N
Compound name
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

385.17902 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18630 194.9
[M+Na]+ 408.16824 201.5
[M-H]- 384.17174 206.4
[M+NH4]+ 403.21284 206.0
[M+K]+ 424.14218 197.5
[M+H-H2O]+ 368.17628 184.1
[M+HCOO]- 430.17722 218.7
[M+CH3COO]- 444.19287 205.3
[M+Na-2H]- 406.15369 198.6
[M]+ 385.17847 199.1
[M]- 385.17957 199.1
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.