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]+ 324.23218 181.7
[M+Na]+ 346.21412 183.4
[M-H]- 322.21762 187.0
[M+NH4]+ 341.25872 194.7
[M+K]+ 362.18806 180.2
[M+H-H2O]+ 306.22216 173.5
[M+HCOO]- 368.22310 199.2
[M+CH3COO]- 382.23875 215.8
[M+Na-2H]- 344.19957 181.8
[M]+ 323.22435 180.6
[M]- 323.22545 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.