CID 3050741

Benzhydrol, 2-(3-(diethylamino)propoxy)-alpha-phenyl-, hydrobromide, hemihydrate

Structural Information

Molecular Formula
C26H31NO2
SMILES
CCN(CC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C26H31NO2/c1-3-27(4-2)20-13-21-29-25-19-12-11-18-24(25)26(28,22-14-7-5-8-15-22)23-16-9-6-10-17-23/h5-12,14-19,28H,3-4,13,20-21H2,1-2H3
InChIKey
YRAZDWSSUIHGMP-UHFFFAOYSA-N
Compound name
[2-[3-(diethylamino)propoxy]phenyl]-diphenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.23547 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.24275 198.8
[M+Na]+ 412.22469 201.2
[M-H]- 388.22819 206.9
[M+NH4]+ 407.26929 208.8
[M+K]+ 428.19863 196.2
[M+H-H2O]+ 372.23273 188.2
[M+HCOO]- 434.23367 219.0
[M+CH3COO]- 448.24932 224.9
[M+Na-2H]- 410.21014 202.1
[M]+ 389.23492 200.4
[M]- 389.23602 200.4
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.