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]+ 362.211476 189.6
[M+Na]+ 384.193418 192.3
[M-H]- 360.196924 195.6
[M+NH4]+ 379.238023 199.5
[M+K]+ 400.167358 186.2
[M+H-H2O]+ 344.201460 180.0
[M+HCOO]- 406.202401 208.1
[M+CH3COO]- 420.218051 216.0
[M+Na-2H]- 382.178866 190.5
[M]+ 361.20365142 187.3
[M]- 361.20474858 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.