CID 24841275

Brn 3403715

Structural Information

Molecular Formula
C20H28N2O
SMILES
CCN(CC)CCN(C1=CC=CC=C1)C(CO)C2=CC=CC=C2
InChI
InChI=1S/C20H28N2O/c1-3-21(4-2)15-16-22(19-13-9-6-10-14-19)20(17-23)18-11-7-5-8-12-18/h5-14,20,23H,3-4,15-17H2,1-2H3
InChIKey
PQRFUPGXJPSATD-UHFFFAOYSA-N
Compound name
2-[N-[2-(diethylamino)ethyl]anilino]-2-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.22015 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.22743 179.5
[M+Na]+ 335.20937 181.1
[M-H]- 311.21287 185.9
[M+NH4]+ 330.25397 193.2
[M+K]+ 351.18331 178.6
[M+H-H2O]+ 295.21741 169.9
[M+HCOO]- 357.21835 202.4
[M+CH3COO]- 371.23400 216.9
[M+Na-2H]- 333.19482 181.7
[M]+ 312.21960 180.5
[M]- 312.22070 180.5
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.