CID 115111

Way 100135

Structural Information

Molecular Formula
C24H33N3O2
SMILES
CC(C)(C)NC(=O)C(CN1CCN(CC1)C2=CC=CC=C2OC)C3=CC=CC=C3
InChI
InChI=1S/C24H33N3O2/c1-24(2,3)25-23(28)20(19-10-6-5-7-11-19)18-26-14-16-27(17-15-26)21-12-8-9-13-22(21)29-4/h5-13,20H,14-18H2,1-4H3,(H,25,28)
InChIKey
UMTDAKAAYOXIKU-UHFFFAOYSA-N
Compound name
N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

155
References

190
Patents

395.25726 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.26454 199.9
[M+Na]+ 418.24648 201.2
[M-H]- 394.24998 205.1
[M+NH4]+ 413.29108 207.1
[M+K]+ 434.22042 196.8
[M+H-H2O]+ 378.25452 188.5
[M+HCOO]- 440.25546 213.1
[M+CH3COO]- 454.27111 225.4
[M+Na-2H]- 416.23193 200.1
[M]+ 395.25671 196.7
[M]- 395.25781 196.7
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