CID 50884

77985-33-2

Structural Information

Molecular Formula
C22H31N3O2
SMILES
CN(C)CC(CCC1=CC=CC=C1)(CN(C)C)OC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C22H31N3O2/c1-24(2)17-22(18-25(3)4,16-15-19-11-7-5-8-12-19)27-21(26)23-20-13-9-6-10-14-20/h5-14H,15-18H2,1-4H3,(H,23,26)
InChIKey
LVNUQFOCKUNCDA-UHFFFAOYSA-N
Compound name
[1-(dimethylamino)-2-[(dimethylamino)methyl]-4-phenylbutan-2-yl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.24164 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.24892 193.8
[M+Na]+ 392.23086 203.0
[M+NH4]+ 387.27546 200.2
[M+K]+ 408.20480 196.6
[M-H]- 368.23436 198.8
[M+Na-2H]- 390.21631 201.5
[M]+ 369.24109 196.4
[M]- 369.24219 196.4
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

No patent data available for this compound.