CID 4535168

2-[[12-[(2-hydroxyphenyl)methylamino]dodecylamino]methyl]phenol

Structural Information

Molecular Formula
C26H40N2O2
SMILES
C1=CC=C(C(=C1)CNCCCCCCCCCCCCNCC2=CC=CC=C2O)O
InChI
InChI=1S/C26H40N2O2/c29-25-17-11-9-15-23(25)21-27-19-13-7-5-3-1-2-4-6-8-14-20-28-22-24-16-10-12-18-26(24)30/h9-12,15-18,27-30H,1-8,13-14,19-22H2
InChIKey
IAOWRIYZWUFKMM-UHFFFAOYSA-N
Compound name
2-[[12-[(2-hydroxyphenyl)methylamino]dodecylamino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

45
Patents

412.309 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.31628 210.4
[M+Na]+ 435.29822 219.9
[M+NH4]+ 430.34282 216.0
[M+K]+ 451.27216 210.0
[M-H]- 411.30172 214.5
[M+Na-2H]- 433.28367 215.5
[M]+ 412.30845 212.6
[M]- 412.30955 212.6
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

patents stripe