CID 66143

Coralgil

Structural Information

Molecular Formula
C30H48N2O2
SMILES
CCC(C1=CC=C(C=C1)OCCN(CC)CC)C(CC)C2=CC=C(C=C2)OCCN(CC)CC
InChI
InChI=1S/C30H48N2O2/c1-7-29(25-13-17-27(18-14-25)33-23-21-31(9-3)10-4)30(8-2)26-15-19-28(20-16-26)34-24-22-32(11-5)12-6/h13-20,29-30H,7-12,21-24H2,1-6H3
InChIKey
UBDWKOZBPSKHMO-UHFFFAOYSA-N
Compound name
2-[4-[4-[4-[2-(diethylamino)ethoxy]phenyl]hexan-3-yl]phenoxy]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

20
References

241
Patents

468.37158 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.37886 228.5
[M+Na]+ 491.36080 227.6
[M-H]- 467.36430 235.1
[M+NH4]+ 486.40540 236.9
[M+K]+ 507.33474 225.1
[M+H-H2O]+ 451.36884 217.0
[M+HCOO]- 513.36978 248.6
[M+CH3COO]- 527.38543 253.7
[M+Na-2H]- 489.34625 223.2
[M]+ 468.37103 236.5
[M]- 468.37213 236.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe