CID 3132840

Gnf-pf-4596

Structural Information

Molecular Formula
C24H33NO3
SMILES
CCC1(CC(CCO1)(CCNCC2=CC=CC=C2O)C3=CC=CC=C3OC)C
InChI
InChI=1S/C24H33NO3/c1-4-23(2)18-24(14-16-28-23,20-10-6-8-12-22(20)27-3)13-15-25-17-19-9-5-7-11-21(19)26/h5-12,25-26H,4,13-18H2,1-3H3
InChIKey
ZURXJQRDJNACHN-UHFFFAOYSA-N
Compound name
2-[[2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethylamino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

383.24603 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.25331 196.0
[M+Na]+ 406.23525 199.9
[M-H]- 382.23875 203.9
[M+NH4]+ 401.27985 208.9
[M+K]+ 422.20919 196.6
[M+H-H2O]+ 366.24329 186.6
[M+HCOO]- 428.24423 213.1
[M+CH3COO]- 442.25988 220.2
[M+Na-2H]- 404.22070 199.0
[M]+ 383.24548 195.8
[M]- 383.24658 195.8
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

No patent data available for this compound.