CID 3038281

Trans-3,3'-bis((dimethylamino)methyl)-alpha,alpha'-diethyl-4,4'-stilbenediol

Structural Information

Molecular Formula
C24H34N2O2
SMILES
CC/C(=C(/CC)\C1=CC(=C(C=C1)O)CN(C)C)/C2=CC(=C(C=C2)O)CN(C)C
InChI
InChI=1S/C24H34N2O2/c1-7-21(17-9-11-23(27)19(13-17)15-25(3)4)22(8-2)18-10-12-24(28)20(14-18)16-26(5)6/h9-14,27-28H,7-8,15-16H2,1-6H3/b22-21+
InChIKey
SYKBTJKPGUKNGK-QURGRASLSA-N
Compound name
2-[(dimethylamino)methyl]-4-[(E)-4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]hex-3-en-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

382.26202 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.26930 199.2
[M+Na]+ 405.25124 202.3
[M-H]- 381.25474 205.3
[M+NH4]+ 400.29584 210.5
[M+K]+ 421.22518 199.3
[M+H-H2O]+ 365.25928 190.2
[M+HCOO]- 427.26022 218.7
[M+CH3COO]- 441.27587 232.8
[M+Na-2H]- 403.23669 194.9
[M]+ 382.26147 201.5
[M]- 382.26257 201.5
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