CID 60890

Drobuline

Structural Information

Molecular Formula
C19H25NO
SMILES
CC(C)NCC(CC(C1=CC=CC=C1)C2=CC=CC=C2)O
InChI
InChI=1S/C19H25NO/c1-15(2)20-14-18(21)13-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18-21H,13-14H2,1-2H3
InChIKey
DAIZVBCVNQSHLI-UHFFFAOYSA-N
Compound name
4,4-diphenyl-1-(propan-2-ylamino)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

174
Patents

283.1936 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.20088 171.2
[M+Na]+ 306.18282 173.3
[M-H]- 282.18632 175.2
[M+NH4]+ 301.22742 185.1
[M+K]+ 322.15676 169.4
[M+H-H2O]+ 266.19086 163.0
[M+HCOO]- 328.19180 190.5
[M+CH3COO]- 342.20745 204.0
[M+Na-2H]- 304.16827 172.7
[M]+ 283.19305 168.9
[M]- 283.19415 168.9
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.