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
2
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]+ 284.200876 171.2
[M+Na]+ 306.182818 173.3
[M-H]- 282.186324 175.2
[M+NH4]+ 301.227423 185.1
[M+K]+ 322.156758 169.4
[M+H-H2O]+ 266.190860 163.0
[M+HCOO]- 328.191801 190.5
[M+CH3COO]- 342.207451 204.0
[M+Na-2H]- 304.168266 172.7
[M]+ 283.19305142 168.9
[M]- 283.19414858 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

literature stripe

Patent stripe

patents stripe