CID 454819

3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-1,2-dihydropyridin-2-amine

Structural Information

Molecular Formula
C17H21N3O
SMILES
CCC1=C(NC(C(=C1)CCC2=NC3=CC=CC=C3O2)N)C
InChI
InChI=1S/C17H21N3O/c1-3-12-10-13(17(18)19-11(12)2)8-9-16-20-14-6-4-5-7-15(14)21-16/h4-7,10,17,19H,3,8-9,18H2,1-2H3
InChIKey
SFYSPNMNFRUMOL-UHFFFAOYSA-N
Compound name
3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-1,2-dihydropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.16846 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 168.8
[M+Na]+ 306.15768 178.0
[M-H]- 282.16118 173.3
[M+NH4]+ 301.20228 182.9
[M+K]+ 322.13162 172.6
[M+H-H2O]+ 266.16572 160.3
[M+HCOO]- 328.16666 188.3
[M+CH3COO]- 342.18231 180.0
[M+Na-2H]- 304.14313 172.2
[M]+ 283.16791 169.7
[M]- 283.16901 169.7
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.