CID 3038390

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 199.5
[M+Na]+ 405.25124 209.9
[M+NH4]+ 400.29584 205.4
[M+K]+ 421.22518 203.6
[M-H]- 381.25474 203.8
[M+Na-2H]- 403.23669 204.5
[M]+ 382.26147 202.0
[M]- 382.26257 202.0
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