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]+ 284.175736 168.8
[M+Na]+ 306.157678 178.0
[M-H]- 282.161184 173.3
[M+NH4]+ 301.202283 182.9
[M+K]+ 322.131618 172.6
[M+H-H2O]+ 266.165720 160.3
[M+HCOO]- 328.166661 188.3
[M+CH3COO]- 342.182311 180.0
[M+Na-2H]- 304.143126 172.2
[M]+ 283.16791142 169.7
[M]- 283.16900858 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

literature stripe

Patent stripe

No patent data available for this compound.