CID 384072

Nsc673294

Structural Information

Molecular Formula
C20H23ClN4O3
SMILES
CN1C2=C(C=C(C(=C2)Cl)C(CN3CCN(CC3)CC4=CC=CC=N4)O)OC1=O
InChI
InChI=1S/C20H23ClN4O3/c1-23-17-11-16(21)15(10-19(17)28-20(23)27)18(26)13-25-8-6-24(7-9-25)12-14-4-2-3-5-22-14/h2-5,10-11,18,26H,6-9,12-13H2,1H3
InChIKey
BINBQTINYCLDQA-UHFFFAOYSA-N
Compound name
5-chloro-6-[1-hydroxy-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-3-methyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.14587 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15315 195.6
[M+Na]+ 425.13509 204.3
[M-H]- 401.13859 200.2
[M+NH4]+ 420.17969 202.3
[M+K]+ 441.10903 198.1
[M+H-H2O]+ 385.14313 184.1
[M+HCOO]- 447.14407 203.7
[M+CH3COO]- 461.15972 203.7
[M+Na-2H]- 423.12054 195.1
[M]+ 402.14532 198.3
[M]- 402.14642 198.3
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.