CID 391455

Nsc690659

Structural Information

Molecular Formula
C19H19N3O3
SMILES
C1CN(CCN1CC(=O)C2=CC3=C(C=C2)NC(=O)O3)C4=CC=CC=C4
InChI
InChI=1S/C19H19N3O3/c23-17(14-6-7-16-18(12-14)25-19(24)20-16)13-21-8-10-22(11-9-21)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,20,24)
InChIKey
HQRCKGFZXWPQBR-UHFFFAOYSA-N
Compound name
6-[2-(4-phenylpiperazin-1-yl)acetyl]-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.14264 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14992 178.2
[M+Na]+ 360.13186 185.4
[M-H]- 336.13536 184.0
[M+NH4]+ 355.17646 187.5
[M+K]+ 376.10580 180.2
[M+H-H2O]+ 320.13990 167.5
[M+HCOO]- 382.14084 193.1
[M+CH3COO]- 396.15649 187.5
[M+Na-2H]- 358.11731 180.5
[M]+ 337.14209 176.6
[M]- 337.14319 176.6
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.