CID 393053

Nsc694337

Structural Information

Molecular Formula
C19H19N3O4
SMILES
COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC4=C(C=C3)NC(=O)O4
InChI
InChI=1S/C19H19N3O4/c1-25-15-5-2-13(3-6-15)18(23)22-10-8-21(9-11-22)14-4-7-16-17(12-14)26-19(24)20-16/h2-7,12H,8-11H2,1H3,(H,20,24)
InChIKey
VJORCZOIIHBWBQ-UHFFFAOYSA-N
Compound name
6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.13754 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14482 181.8
[M+Na]+ 376.12676 189.7
[M-H]- 352.13026 188.1
[M+NH4]+ 371.17136 190.8
[M+K]+ 392.10070 185.3
[M+H-H2O]+ 336.13480 171.2
[M+HCOO]- 398.13574 196.9
[M+CH3COO]- 412.15139 191.3
[M+Na-2H]- 374.11221 183.5
[M]+ 353.13699 181.9
[M]- 353.13809 181.9
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.