CID 1034070

2-({[4-(2,4-dimethylbenzyl)-1-piperazinyl]imino}methyl)-6-methoxyphenol

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CC1=CC(=C(C=C1)CN2CCN(CC2)N=CC3=C(C(=CC=C3)OC)O)C
InChI
InChI=1S/C21H27N3O2/c1-16-7-8-19(17(2)13-16)15-23-9-11-24(12-10-23)22-14-18-5-4-6-20(26-3)21(18)25/h4-8,13-14,25H,9-12,15H2,1-3H3
InChIKey
UJHCJSPGCTUIKK-UHFFFAOYSA-N
Compound name
2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.21033 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 189.0
[M+Na]+ 376.19955 194.6
[M-H]- 352.20305 195.4
[M+NH4]+ 371.24415 198.8
[M+K]+ 392.17349 189.2
[M+H-H2O]+ 336.20759 177.7
[M+HCOO]- 398.20853 206.8
[M+CH3COO]- 412.22418 218.7
[M+Na-2H]- 374.18500 189.6
[M]+ 353.20978 187.8
[M]- 353.21088 187.8
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.