CID 135519109

(e)-2-(((4-benzhydrylpiperazin-1-yl)imino)methyl)-6-methoxyphenol

Structural Information

Molecular Formula
C25H27N3O2
SMILES
COC1=CC=CC(=C1O)/C=N/N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H27N3O2/c1-30-23-14-8-13-22(25(23)29)19-26-28-17-15-27(16-18-28)24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,19,24,29H,15-18H2,1H3/b26-19+
InChIKey
UITQGBLFGUWVDH-LGUFXXKBSA-N
Compound name
2-[(E)-(4-benzhydrylpiperazin-1-yl)iminomethyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.21033 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.217606 199.2
[M+Na]+ 424.199548 201.8
[M-H]- 400.203054 207.4
[M+NH4]+ 419.244153 205.4
[M+K]+ 440.173488 195.4
[M+H-H2O]+ 384.207590 185.8
[M+HCOO]- 446.208531 215.5
[M+CH3COO]- 460.224181 206.1
[M+Na-2H]- 422.184996 200.5
[M]+ 401.20978142 194.8
[M]- 401.21087858 194.8
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.