CID 161794

Brn 2789202

Structural Information

Molecular Formula
C33H37NO
SMILES
C1=CC=C(C=C1)C(CCN(CCCO)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C33H37NO/c35-27-13-24-34(25-22-32(28-14-5-1-6-15-28)29-16-7-2-8-17-29)26-23-33(30-18-9-3-10-19-30)31-20-11-4-12-21-31/h1-12,14-21,32-33,35H,13,22-27H2
InChIKey
YHXUXVOYEHPUKL-UHFFFAOYSA-N
Compound name
3-[bis(3,3-diphenylpropyl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

463.2875 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.29478 219.9
[M+Na]+ 486.27672 218.2
[M-H]- 462.28022 229.0
[M+NH4]+ 481.32132 225.2
[M+K]+ 502.25066 211.1
[M+H-H2O]+ 446.28476 206.9
[M+HCOO]- 508.28570 237.7
[M+CH3COO]- 522.30135 224.9
[M+Na-2H]- 484.26217 219.3
[M]+ 463.28695 218.0
[M]- 463.28805 218.0
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

patents stripe