CID 9567262

Stl335938

Structural Information

Molecular Formula
C26H29N3O2
SMILES
COC1=CC(=C(C=C1)OC)/C=N/N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H29N3O2/c1-30-24-13-14-25(31-2)23(19-24)20-27-29-17-15-28(16-18-29)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19-20,26H,15-18H2,1-2H3/b27-20+
InChIKey
HIMSQKIUNQPUNZ-NHFJDJAPSA-N
Compound name
(E)-N-(4-benzhydrylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.22598 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.233256 204.0
[M+Na]+ 438.215198 206.5
[M-H]- 414.218704 213.3
[M+NH4]+ 433.259803 210.2
[M+K]+ 454.189138 200.7
[M+H-H2O]+ 398.223240 189.9
[M+HCOO]- 460.224181 221.4
[M+CH3COO]- 474.239831 211.0
[M+Na-2H]- 436.200646 205.1
[M]+ 415.22543142 201.6
[M]- 415.22652858 201.6
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.