CID 6918160

Fedotozine

Structural Information

Molecular Formula
C22H31NO4
SMILES
CC[C@](COCC1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C
InChI
InChI=1S/C22H31NO4/c1-7-22(23(2)3,18-11-9-8-10-12-18)16-27-15-17-13-19(24-4)21(26-6)20(14-17)25-5/h8-14H,7,15-16H2,1-6H3/t22-/m0/s1
InChIKey
MVKIWCDXKCUDEH-QFIPXVFZSA-N
Compound name
(2R)-N,N-dimethyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

36
References

1720
Patents

373.2253 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.232576 193.0
[M+Na]+ 396.214518 198.0
[M-H]- 372.218024 200.5
[M+NH4]+ 391.259123 205.6
[M+K]+ 412.188458 196.8
[M+H-H2O]+ 356.222560 183.7
[M+HCOO]- 418.223501 215.2
[M+CH3COO]- 432.239151 226.2
[M+Na-2H]- 394.199966 195.2
[M]+ 373.22475142 201.7
[M]- 373.22584858 201.7
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