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 213.7
[M+Na]+ 451.30434 216.9
[M-H]- 427.30784 222.8
[M+NH4]+ 446.34894 224.3
[M+K]+ 467.27828 216.5
[M+H-H2O]+ 411.31238 203.4
[M+HCOO]- 473.31332 237.4
[M+CH3COO]- 487.32897 254.7
[M+Na-2H]- 449.28979 209.2
[M]+ 428.31457 220.2
[M]- 428.31567 220.2
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.