CID 80462

6274-83-5

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CCN(CC)C1=CC(=C(C=C1)CC2=C(C=C(C=C2)N(CC)CC)O)O
InChI
InChI=1S/C21H30N2O2/c1-5-22(6-2)18-11-9-16(20(24)14-18)13-17-10-12-19(15-21(17)25)23(7-3)8-4/h9-12,14-15,24-25H,5-8,13H2,1-4H3
InChIKey
HQXMQJIISUSHBT-UHFFFAOYSA-N
Compound name
5-(diethylamino)-2-[[4-(diethylamino)-2-hydroxyphenyl]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

342.23074 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.238016 186.8
[M+Na]+ 365.219958 191.5
[M-H]- 341.223464 193.3
[M+NH4]+ 360.264563 199.9
[M+K]+ 381.193898 188.4
[M+H-H2O]+ 325.228000 177.9
[M+HCOO]- 387.228941 209.1
[M+CH3COO]- 401.244591 223.5
[M+Na-2H]- 363.205406 186.5
[M]+ 342.23019142 190.1
[M]- 342.23128858 190.1
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