CID 54316

78932-95-3

Structural Information

Molecular Formula
C30H29N3O
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C30H29N3O/c1-3-7-26(8-4-1)24-34-30-17-11-25(12-18-30)23-31-27-13-15-29(16-14-27)33-21-19-32(20-22-33)28-9-5-2-6-10-28/h1-18,23H,19-22,24H2
InChIKey
CWSPOXRKENMIPB-UHFFFAOYSA-N
Compound name
1-(4-phenylmethoxyphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.23105 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.23833 213.0
[M+Na]+ 470.22027 215.4
[M-H]- 446.22377 224.4
[M+NH4]+ 465.26487 217.1
[M+K]+ 486.19421 206.8
[M+H-H2O]+ 430.22831 197.1
[M+HCOO]- 492.22925 230.5
[M+CH3COO]- 506.24490 219.0
[M+Na-2H]- 468.20572 215.1
[M]+ 447.23050 207.9
[M]- 447.23160 207.9
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.