CID 3038390

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

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]+ 383.269296 199.2
[M+Na]+ 405.251238 202.3
[M-H]- 381.254744 205.3
[M+NH4]+ 400.295843 210.5
[M+K]+ 421.225178 199.3
[M+H-H2O]+ 365.259280 190.2
[M+HCOO]- 427.260221 218.7
[M+CH3COO]- 441.275871 232.8
[M+Na-2H]- 403.236686 194.9
[M]+ 382.26147142 201.5
[M]- 382.26256858 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