CID 26750

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

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]+ 332.20088 181.7
[M+Na]+ 354.18282 184.3
[M-H]- 330.18632 188.1
[M+NH4]+ 349.22742 193.0
[M+K]+ 370.15676 178.0
[M+H-H2O]+ 314.19086 172.4
[M+HCOO]- 376.19180 200.7
[M+CH3COO]- 390.20745 210.0
[M+Na-2H]- 352.16827 185.9
[M]+ 331.19305 177.8
[M]- 331.19415 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