CID 135492297

303102-30-9

Structural Information

Molecular Formula
C21H27N3O3
SMILES
CC1=CC=C(C=C1)CN2CCN(CC2)/N=C/C3=CC(=C(C(=C3)OC)O)OC
InChI
InChI=1S/C21H27N3O3/c1-16-4-6-17(7-5-16)15-23-8-10-24(11-9-23)22-14-18-12-19(26-2)21(25)20(13-18)27-3/h4-7,12-14,25H,8-11,15H2,1-3H3/b22-14+
InChIKey
YKOHJTAMXQFELQ-HYARGMPZSA-N
Compound name
2,6-dimethoxy-4-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

369.20523 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.212506 191.8
[M+Na]+ 392.194448 197.1
[M-H]- 368.197954 198.1
[M+NH4]+ 387.239053 200.8
[M+K]+ 408.168388 192.4
[M+H-H2O]+ 352.202490 180.2
[M+HCOO]- 414.203431 209.7
[M+CH3COO]- 428.219081 220.9
[M+Na-2H]- 390.179896 192.5
[M]+ 369.20468142 191.9
[M]- 369.20577858 191.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.