CID 9577372

Chembl2105455

Structural Information

Molecular Formula
C22H29N3O4
SMILES
COC1=CC=CC(=C1)/C=N/OCC(CN2CCN(CC2)C3=CC=CC=C3OC)O
InChI
InChI=1S/C22H29N3O4/c1-27-20-7-5-6-18(14-20)15-23-29-17-19(26)16-24-10-12-25(13-11-24)21-8-3-4-9-22(21)28-2/h3-9,14-15,19,26H,10-13,16-17H2,1-2H3/b23-15+
InChIKey
QSOFMSXQETVQGE-HZHRSRAPSA-N
Compound name
1-[(E)-(3-methoxyphenyl)methylideneamino]oxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

399.21582 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.22310 197.0
[M+Na]+ 422.20504 199.5
[M-H]- 398.20854 202.4
[M+NH4]+ 417.24964 203.9
[M+K]+ 438.17898 195.8
[M+H-H2O]+ 382.21308 184.7
[M+HCOO]- 444.21402 213.8
[M+CH3COO]- 458.22967 224.3
[M+Na-2H]- 420.19049 197.8
[M]+ 399.21527 197.4
[M]- 399.21637 197.4
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.