CID 108858

59917-57-6

Structural Information

Molecular Formula
C25H40N4O2
SMILES
CN(C)CC1=CC(=C(C(=C1)CN(C)C)O)CC2=C(C(=CC(=C2)CN(C)C)CN(C)C)O
InChI
InChI=1S/C25H40N4O2/c1-26(2)14-18-9-20(24(30)22(11-18)16-28(5)6)13-21-10-19(15-27(3)4)12-23(25(21)31)17-29(7)8/h9-12,30-31H,13-17H2,1-8H3
InChIKey
AVNDZZHKCFPIKB-UHFFFAOYSA-N
Compound name
2-[[3,5-bis[(dimethylamino)methyl]-2-hydroxyphenyl]methyl]-4,6-bis[(dimethylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.31512 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.32240 213.6
[M+Na]+ 451.30434 222.9
[M+NH4]+ 446.34894 219.2
[M+K]+ 467.27828 216.9
[M-H]- 427.30784 219.7
[M+Na-2H]- 449.28979 218.4
[M]+ 428.31457 216.5
[M]- 428.31567 216.5
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.