CID 454431

Bdbm1344

Structural Information

Molecular Formula
C15H13Cl2N3O2
SMILES
CC1=CC(=C(C(=O)N1)NCC2=NC3=C(C=CC(=C3O2)Cl)Cl)C
InChI
InChI=1S/C15H13Cl2N3O2/c1-7-5-8(2)19-15(21)12(7)18-6-11-20-13-9(16)3-4-10(17)14(13)22-11/h3-5,18H,6H2,1-2H3,(H,19,21)
InChIKey
WLRKCGBECWLZJJ-UHFFFAOYSA-N
Compound name
3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methylamino]-4,6-dimethyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.03848 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.04576 175.8
[M+Na]+ 360.02770 189.5
[M-H]- 336.03120 180.9
[M+NH4]+ 355.07230 189.6
[M+K]+ 376.00164 182.4
[M+H-H2O]+ 320.03574 168.6
[M+HCOO]- 382.03668 188.1
[M+CH3COO]- 396.05233 187.6
[M+Na-2H]- 358.01315 179.1
[M]+ 337.03793 183.0
[M]- 337.03903 183.0
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.