CID 393051

Nsc694335

Structural Information

Molecular Formula
C20H21N3O4
SMILES
COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC4=C(C=C3)NC(=O)CO4
InChI
InChI=1S/C20H21N3O4/c1-26-16-5-2-14(3-6-16)20(25)23-10-8-22(9-11-23)15-4-7-17-18(12-15)27-13-19(24)21-17/h2-7,12H,8-11,13H2,1H3,(H,21,24)
InChIKey
MZRXIKNSJHGRAC-UHFFFAOYSA-N
Compound name
7-[4-(4-methoxybenzoyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1532 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16048 188.7
[M+Na]+ 390.14242 193.2
[M-H]- 366.14592 193.2
[M+NH4]+ 385.18702 194.6
[M+K]+ 406.11636 188.9
[M+H-H2O]+ 350.15046 176.5
[M+HCOO]- 412.15140 198.1
[M+CH3COO]- 426.16705 195.7
[M+Na-2H]- 388.12787 189.9
[M]+ 367.15265 183.9
[M]- 367.15375 183.9
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.