CID 454394

143707-90-8

Structural Information

Molecular Formula
C20H19N3O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=NC3=C(O2)C=CC4=CC=CC=C43)C
InChI
InChI=1S/C20H19N3O2/c1-3-13-10-16(20(24)22-12(13)2)21-11-18-23-19-15-7-5-4-6-14(15)8-9-17(19)25-18/h4-10,21H,3,11H2,1-2H3,(H,22,24)
InChIKey
OHFNQWZCGNAKRP-UHFFFAOYSA-N
Compound name
3-(benzo[e][1,3]benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.14774 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 179.5
[M+Na]+ 356.13696 190.6
[M-H]- 332.14046 186.0
[M+NH4]+ 351.18156 192.6
[M+K]+ 372.11090 184.3
[M+H-H2O]+ 316.14500 170.3
[M+HCOO]- 378.14594 199.8
[M+CH3COO]- 392.16159 190.8
[M+Na-2H]- 354.12241 185.3
[M]+ 333.14719 183.5
[M]- 333.14829 183.5
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.