CID 60832

135525-77-8

Structural Information

Molecular Formula
C18H21N3O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=NC3=C(C=CC(=C3O2)C)C)C
InChI
InChI=1S/C18H21N3O2/c1-5-13-8-14(18(22)20-12(13)4)19-9-15-21-16-10(2)6-7-11(3)17(16)23-15/h6-8,19H,5,9H2,1-4H3,(H,20,22)
InChIKey
VDZJXIOFISBBLT-UHFFFAOYSA-N
Compound name
3-[(4,7-dimethyl-1,3-benzoxazol-2-yl)methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

25
Patents

311.1634 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17068 175.1
[M+Na]+ 334.15262 190.5
[M+NH4]+ 329.19722 182.0
[M+K]+ 350.12656 185.0
[M-H]- 310.15612 180.1
[M+Na-2H]- 332.13807 181.2
[M]+ 311.16285 178.8
[M]- 311.16395 178.8
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