CID 203419

Benzhydrol, alpha-(1-(diisopropylamino)-2-propen-2-yl)-, hydrochloride

Structural Information

Molecular Formula
C22H29NO
SMILES
CC(C)N(CC(=C)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)C(C)C
InChI
InChI=1S/C22H29NO/c1-17(2)23(18(3)4)16-19(5)22(24,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,17-18,24H,5,16H2,1-4H3
InChIKey
HXQKPJOVSYOABO-UHFFFAOYSA-N
Compound name
2-[[di(propan-2-yl)amino]methyl]-1,1-diphenylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.232176 181.7
[M+Na]+ 346.214118 183.4
[M-H]- 322.217624 187.0
[M+NH4]+ 341.258723 194.7
[M+K]+ 362.188058 180.2
[M+H-H2O]+ 306.222160 173.5
[M+HCOO]- 368.223101 199.2
[M+CH3COO]- 382.238751 215.8
[M+Na-2H]- 344.199566 181.8
[M]+ 323.22435142 180.6
[M]- 323.22544858 180.6
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.