CID 454430

Bdbm1343

Structural Information

Molecular Formula
C16H15Cl2N3O3
SMILES
CC1=C(C=C(C(=O)N1)NCC2=NC3=C(C=CC(=C3O2)Cl)Cl)C(C)O
InChI
InChI=1S/C16H15Cl2N3O3/c1-7-9(8(2)22)5-12(16(23)20-7)19-6-13-21-14-10(17)3-4-11(18)15(14)24-13/h3-5,8,19,22H,6H2,1-2H3,(H,20,23)
InChIKey
AVPQYVXLYLLOMB-UHFFFAOYSA-N
Compound name
3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methylamino]-5-(1-hydroxyethyl)-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

367.04904 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.05632 181.8
[M+Na]+ 390.03826 194.1
[M-H]- 366.04176 185.9
[M+NH4]+ 385.08286 193.7
[M+K]+ 406.01220 187.4
[M+H-H2O]+ 350.04630 175.0
[M+HCOO]- 412.04724 191.7
[M+CH3COO]- 426.06289 192.4
[M+Na-2H]- 388.02371 183.5
[M]+ 367.04849 188.6
[M]- 367.04959 188.6
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.