CID 3029911

4-(3-((3,3-diphenylpropyl)amino)butyl)-2-methoxyphenol maleate

Structural Information

Molecular Formula
C26H31NO2
SMILES
CC(CCC1=CC(=C(C=C1)O)OC)NCCC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C26H31NO2/c1-20(13-14-21-15-16-25(28)26(19-21)29-2)27-18-17-24(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,15-16,19-20,24,27-28H,13-14,17-18H2,1-2H3
InChIKey
AMCWKXGRVXKBIW-UHFFFAOYSA-N
Compound name
4-[3-(3,3-diphenylpropylamino)butyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.23547 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.24275 199.0
[M+Na]+ 412.22469 201.1
[M-H]- 388.22819 205.8
[M+NH4]+ 407.26929 208.4
[M+K]+ 428.19863 195.4
[M+H-H2O]+ 372.23273 188.5
[M+HCOO]- 434.23367 218.2
[M+CH3COO]- 448.24932 224.1
[M+Na-2H]- 410.21014 199.1
[M]+ 389.23492 199.1
[M]- 389.23602 199.1
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.