CID 6886495

Stl334046

Structural Information

Molecular Formula
C21H27N3O3
SMILES
COC1=CC(=C(C(=C1)OC)/C=N/N2CCN(CC2)CC3=CC=CC=C3)OC
InChI
InChI=1S/C21H27N3O3/c1-25-18-13-20(26-2)19(21(14-18)27-3)15-22-24-11-9-23(10-12-24)16-17-7-5-4-6-8-17/h4-8,13-15H,9-12,16H2,1-3H3/b22-15+
InChIKey
HLTXFVAPQCNSLR-PXLXIMEGSA-N
Compound name
(E)-N-(4-benzylpiperazin-1-yl)-1-(2,4,6-trimethoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.20523 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.212506 191.1
[M+Na]+ 392.194448 195.9
[M-H]- 368.197954 198.4
[M+NH4]+ 387.239053 200.5
[M+K]+ 408.168388 192.0
[M+H-H2O]+ 352.202490 178.8
[M+HCOO]- 414.203431 210.5
[M+CH3COO]- 428.219081 222.0
[M+Na-2H]- 390.179896 192.9
[M]+ 369.20468142 192.5
[M]- 369.20577858 192.5
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.