CID 454386

143707-81-7

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=NC3=C(O2)CCCC3)C
InChI
InChI=1S/C16H21N3O2/c1-3-11-8-13(16(20)18-10(11)2)17-9-15-19-12-6-4-5-7-14(12)21-15/h8,17H,3-7,9H2,1-2H3,(H,18,20)
InChIKey
SAGDAHZQCJHXHR-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethylamino)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.1634 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 168.0
[M+Na]+ 310.15262 175.7
[M-H]- 286.15612 172.4
[M+NH4]+ 305.19722 181.8
[M+K]+ 326.12656 171.3
[M+H-H2O]+ 270.16066 159.5
[M+HCOO]- 332.16160 185.9
[M+CH3COO]- 346.17725 178.7
[M+Na-2H]- 308.13807 171.1
[M]+ 287.16285 167.4
[M]- 287.16395 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.