CID 26750

2-butanol, 4-amino-2-benzyl-1,4-diphenyl-

Structural Information

Molecular Formula
C23H25NO
SMILES
C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(CC(C3=CC=CC=C3)N)O
InChI
InChI=1S/C23H25NO/c24-22(21-14-8-3-9-15-21)18-23(25,16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15,22,25H,16-18,24H2
InChIKey
VPXUKOZBHNITOD-UHFFFAOYSA-N
Compound name
4-amino-2-benzyl-1,4-diphenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

331.1936 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.200876 181.7
[M+Na]+ 354.182818 184.3
[M-H]- 330.186324 188.1
[M+NH4]+ 349.227423 193.0
[M+K]+ 370.156758 178.0
[M+H-H2O]+ 314.190860 172.4
[M+HCOO]- 376.191801 200.7
[M+CH3COO]- 390.207451 210.0
[M+Na-2H]- 352.168266 185.9
[M]+ 331.19305142 177.8
[M]- 331.19414858 177.8
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