CID 452307

2,4-diamino-1,5-diphenyl-3-hydroxypentane

Structural Information

Molecular Formula
C17H22N2O
SMILES
C1=CC=C(C=C1)C[C@@H](C([C@H](CC2=CC=CC=C2)N)O)N
InChI
InChI=1S/C17H22N2O/c18-15(11-13-7-3-1-4-8-13)17(20)16(19)12-14-9-5-2-6-10-14/h1-10,15-17,20H,11-12,18-19H2/t15-,16-/m0/s1
InChIKey
GZBLEJZADHZBBZ-HOTGVXAUSA-N
Compound name
(2S,4S)-2,4-diamino-1,5-diphenylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

42
Patents

270.17322 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 166.2
[M+Na]+ 293.16244 168.3
[M-H]- 269.16594 169.5
[M+NH4]+ 288.20704 179.8
[M+K]+ 309.13638 164.3
[M+H-H2O]+ 253.17048 158.0
[M+HCOO]- 315.17142 186.0
[M+CH3COO]- 329.18707 202.0
[M+Na-2H]- 291.14789 167.2
[M]+ 270.17267 160.6
[M]- 270.17377 160.6
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