CID 52953008

391901-45-4

Structural Information

Molecular Formula
C16H20N2O
SMILES
C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)N)O
InChI
InChI=1S/C16H20N2O/c17-15-8-6-13(7-9-15)10-11-18-12-16(19)14-4-2-1-3-5-14/h1-9,16,18-19H,10-12,17H2/t16-/m0/s1
InChIKey
TUAHDMSPHZSMQN-INIZCTEOSA-N
Compound name
(1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

137
Patents

256.15756 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.164836 160.2
[M+Na]+ 279.146778 164.3
[M-H]- 255.150284 164.5
[M+NH4]+ 274.191383 175.1
[M+K]+ 295.120718 159.7
[M+H-H2O]+ 239.154820 152.2
[M+HCOO]- 301.155761 183.0
[M+CH3COO]- 315.171411 198.9
[M+Na-2H]- 277.132226 164.5
[M]+ 256.15701142 156.9
[M]- 256.15810858 156.9
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