CID 102478

748-97-0

Structural Information

Molecular Formula
C26H31NO2
SMILES
CCC(C1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OCCN(C)C)O
InChI
InChI=1S/C26H31NO2/c1-4-25(21-11-7-5-8-12-21)26(28,22-13-9-6-10-14-22)23-15-17-24(18-16-23)29-20-19-27(2)3/h5-18,25,28H,4,19-20H2,1-3H3
InChIKey
VFFBJZCCXOYRNN-UHFFFAOYSA-N
Compound name
1-[4-[2-(dimethylamino)ethoxy]phenyl]-1,2-diphenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

389.23547 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.24275 198.5
[M+Na]+ 412.22469 200.6
[M-H]- 388.22819 206.7
[M+NH4]+ 407.26929 208.5
[M+K]+ 428.19863 196.3
[M+H-H2O]+ 372.23273 188.2
[M+HCOO]- 434.23367 217.7
[M+CH3COO]- 448.24932 225.8
[M+Na-2H]- 410.21014 200.7
[M]+ 389.23492 199.6
[M]- 389.23602 199.6
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