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]+ 284.20088 170.7
[M+Na]+ 306.18282 173.9
[M-H]- 282.18632 174.4
[M+NH4]+ 301.22742 184.7
[M+K]+ 322.15676 169.0
[M+H-H2O]+ 266.19086 162.9
[M+HCOO]- 328.19180 189.9
[M+CH3COO]- 342.20745 202.0
[M+Na-2H]- 304.16827 174.4
[M]+ 283.19305 168.2
[M]- 283.19415 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.