CID 3018431

73404-00-9

Structural Information

Molecular Formula
C26H31NO2
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C26H31NO2/c1-3-27(4-2)19-20-29-25-17-15-24(16-18-25)26(28,23-13-9-6-10-14-23)21-22-11-7-5-8-12-22/h5-18,28H,3-4,19-21H2,1-2H3
InChIKey
ZHLXWJSSVXYFJC-UHFFFAOYSA-N
Compound name
1-[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
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

literature stripe

Patent stripe

patents stripe