CID 4535168

N,n'-dodecamethylenebis(2-hydroxybenzylamine)

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 205.2
[M+Na]+ 435.29822 205.4
[M-H]- 411.30172 206.8
[M+NH4]+ 430.34282 213.4
[M+K]+ 451.27216 198.3
[M+H-H2O]+ 395.30626 195.1
[M+HCOO]- 457.30720 224.8
[M+CH3COO]- 471.32285 229.3
[M+Na-2H]- 433.28367 205.6
[M]+ 412.30845 206.9
[M]- 412.30955 206.9
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.