CID 10304

2-(diethylaminomethyl)-4-[3-(diethylaminomethyl)-4-hydroxy-5-prop-2-enylphenyl]-6-prop-2-enylphenol

Structural Information

Molecular Formula
C28H40N2O2
SMILES
CCN(CC)CC1=CC(=CC(=C1O)CC=C)C2=CC(=C(C(=C2)CN(CC)CC)O)CC=C
InChI
InChI=1S/C28H40N2O2/c1-7-13-21-15-23(17-25(27(21)31)19-29(9-3)10-4)24-16-22(14-8-2)28(32)26(18-24)20-30(11-5)12-6/h7-8,15-18,31-32H,1-2,9-14,19-20H2,3-6H3
InChIKey
DQNIWUUHJSXGHW-UHFFFAOYSA-N
Compound name
2-(diethylaminomethyl)-4-[3-(diethylaminomethyl)-4-hydroxy-5-prop-2-enylphenyl]-6-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

712
Patents

436.309 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.31628 215.2
[M+Na]+ 459.29822 219.1
[M-H]- 435.30172 221.0
[M+NH4]+ 454.34282 224.8
[M+K]+ 475.27216 213.5
[M+H-H2O]+ 419.30626 205.5
[M+HCOO]- 481.30720 235.3
[M+CH3COO]- 495.32285 245.2
[M+Na-2H]- 457.28367 209.8
[M]+ 436.30845 220.2
[M]- 436.30955 220.2
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