CID 3025526

103849-39-4

Structural Information

Molecular Formula
C24H27NO2
SMILES
CC(CC1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C24H27NO2/c1-18(16-19-8-4-2-5-9-19)25-15-14-22(20-10-6-3-7-11-20)23-13-12-21(26)17-24(23)27/h2-13,17-18,22,25-27H,14-16H2,1H3
InChIKey
QDIGAASZEUQEMK-UHFFFAOYSA-N
Compound name
4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.2042 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.21148 189.6
[M+Na]+ 384.19342 192.3
[M-H]- 360.19692 195.6
[M+NH4]+ 379.23802 199.5
[M+K]+ 400.16736 186.2
[M+H-H2O]+ 344.20146 180.0
[M+HCOO]- 406.20240 208.1
[M+CH3COO]- 420.21805 216.0
[M+Na-2H]- 382.17887 190.5
[M]+ 361.20365 187.3
[M]- 361.20475 187.3
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.