CID 65002

135525-78-9

Structural Information

Molecular Formula
C16H15Cl2N3O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=NC3=C(C=CC(=C3O2)Cl)Cl)C
InChI
InChI=1S/C16H15Cl2N3O2/c1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-6,19H,3,7H2,1-2H3,(H,20,22)
InChIKey
WHFRDXVXYMGAJD-UHFFFAOYSA-N
Compound name
3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

65
References

209
Patents

351.05414 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.06142 180.4
[M+Na]+ 374.04336 193.7
[M-H]- 350.04686 185.4
[M+NH4]+ 369.08796 193.6
[M+K]+ 390.01730 186.3
[M+H-H2O]+ 334.05140 172.9
[M+HCOO]- 396.05234 192.4
[M+CH3COO]- 410.06799 191.8
[M+Na-2H]- 372.02881 183.1
[M]+ 351.05359 187.9
[M]- 351.05469 187.9
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