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

48
Patents

342.23074 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.23802 186.8
[M+Na]+ 365.21996 191.5
[M-H]- 341.22346 193.3
[M+NH4]+ 360.26456 199.9
[M+K]+ 381.19390 188.4
[M+H-H2O]+ 325.22800 177.9
[M+HCOO]- 387.22894 209.1
[M+CH3COO]- 401.24459 223.5
[M+Na-2H]- 363.20541 186.5
[M]+ 342.23019 190.1
[M]- 342.23129 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