CID 42231

Cr 610

Structural Information

Molecular Formula
C23H31N3O4
SMILES
CCNC(=O)[C@H](CC1=CC=C(C=C1)OCCN(C)C)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C23H31N3O4/c1-4-24-22(27)21(25-23(28)30-17-19-8-6-5-7-9-19)16-18-10-12-20(13-11-18)29-15-14-26(2)3/h5-13,21H,4,14-17H2,1-3H3,(H,24,27)(H,25,28)/t21-/m0/s1
InChIKey
DJCPDVQHQFCTMT-NRFANRHFSA-N
Compound name
benzyl N-[(2S)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(ethylamino)-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.23145 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.23873 203.3
[M+Na]+ 436.22067 211.0
[M+NH4]+ 431.26527 207.6
[M+K]+ 452.19461 205.5
[M-H]- 412.22417 206.8
[M+Na-2H]- 434.20612 208.5
[M]+ 413.23090 204.9
[M]- 413.23200 204.9
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.