CID 9885114

G7fms28pyd

Structural Information

Molecular Formula
C19H20ClN3O2
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)NC(=O)CO3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H20ClN3O2/c20-15-2-4-16(5-3-15)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)25-13-19(24)21-17/h1-6,11H,7-10,12-13H2,(H,21,24)
InChIKey
UFFHNEZNXKJHFB-UHFFFAOYSA-N
Compound name
7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

28
Patents

357.1244 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13168 185.6
[M+Na]+ 380.11362 201.4
[M+NH4]+ 375.15822 193.4
[M+K]+ 396.08756 192.6
[M-H]- 356.11712 191.9
[M+Na-2H]- 378.09907 192.4
[M]+ 357.12385 189.9
[M]- 357.12495 189.9
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

patents stripe