CID 104696

Ethanol, 2-((2-(bis(phenylmethyl)amino)ethyl)(phenylmethyl)amino)-

Structural Information

Molecular Formula
C25H30N2O
SMILES
C1=CC=C(C=C1)CN(CCN(CC2=CC=CC=C2)CC3=CC=CC=C3)CCO
InChI
InChI=1S/C25H30N2O/c28-19-18-26(20-23-10-4-1-5-11-23)16-17-27(21-24-12-6-2-7-13-24)22-25-14-8-3-9-15-25/h1-15,28H,16-22H2
InChIKey
WKFRZSASQDYJIM-UHFFFAOYSA-N
Compound name
2-[benzyl-[2-(dibenzylamino)ethyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

374.2358 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.24308 194.1
[M+Na]+ 397.22502 194.9
[M-H]- 373.22852 202.9
[M+NH4]+ 392.26962 204.6
[M+K]+ 413.19896 190.2
[M+H-H2O]+ 357.23306 182.7
[M+HCOO]- 419.23400 217.5
[M+CH3COO]- 433.24965 226.6
[M+Na-2H]- 395.21047 197.6
[M]+ 374.23525 194.6
[M]- 374.23635 194.6
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

patents stripe