CID 55426

Brn 4607383

Structural Information

Molecular Formula
C27H30N4O2
SMILES
C1CN(CCN1CCCOC2=CC=C(C=C2)NC3=NC4=CC=CC=C4OC3)C5=CC=CC=C5
InChI
InChI=1S/C27H30N4O2/c1-2-7-23(8-3-1)31-18-16-30(17-19-31)15-6-20-32-24-13-11-22(12-14-24)28-27-21-33-26-10-5-4-9-25(26)29-27/h1-5,7-14H,6,15-21H2,(H,28,29)
InChIKey
UWNUSBNMLHSCEI-UHFFFAOYSA-N
Compound name
N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-2H-1,4-benzoxazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.23688 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.24416 213.2
[M+Na]+ 465.22610 229.1
[M+NH4]+ 460.27070 220.5
[M+K]+ 481.20004 218.6
[M-H]- 441.22960 222.9
[M+Na-2H]- 463.21155 223.0
[M]+ 442.23633 218.3
[M]- 442.23743 218.3
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.