CID 219120

Hexapradol

Structural Information

Molecular Formula
C19H25NO
SMILES
CCCCCC(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N
InChI
InChI=1S/C19H25NO/c1-2-3-6-15-18(20)19(21,16-11-7-4-8-12-16)17-13-9-5-10-14-17/h4-5,7-14,18,21H,2-3,6,15,20H2,1H3
InChIKey
ZVRZJTRBWTVKOJ-UHFFFAOYSA-N
Compound name
2-amino-1,1-diphenylheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

283.1936 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.200876 170.7
[M+Na]+ 306.182818 173.9
[M-H]- 282.186324 174.4
[M+NH4]+ 301.227423 184.7
[M+K]+ 322.156758 169.0
[M+H-H2O]+ 266.190860 162.9
[M+HCOO]- 328.191801 189.9
[M+CH3COO]- 342.207451 202.0
[M+Na-2H]- 304.168266 174.4
[M]+ 283.19305142 168.2
[M]- 283.19414858 168.2
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.