CID 135548562

315184-75-9

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CC1=CC(=C(C=C1)CN2CCN(CC2)/N=C/C3=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/b22-14+
InChIKey
UJHCJSPGCTUIKK-HYARGMPZSA-N
Compound name
2-[(E)-[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]+ 354.217606 189.0
[M+Na]+ 376.199548 194.6
[M-H]- 352.203054 195.4
[M+NH4]+ 371.244153 198.8
[M+K]+ 392.173488 189.2
[M+H-H2O]+ 336.207590 177.7
[M+HCOO]- 398.208531 206.8
[M+CH3COO]- 412.224181 218.7
[M+Na-2H]- 374.184996 189.6
[M]+ 353.20978142 187.8
[M]- 353.21087858 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.