CID 469840

Chembl294844

Structural Information

Molecular Formula
C23H30N2O5
SMILES
CCOC(=O)N(CC1=CC=CC=C1)CC(CN(CC2=CC=CC=C2)C(=O)OCC)O
InChI
InChI=1S/C23H30N2O5/c1-3-29-22(27)24(15-19-11-7-5-8-12-19)17-21(26)18-25(23(28)30-4-2)16-20-13-9-6-10-14-20/h5-14,21,26H,3-4,15-18H2,1-2H3
InChIKey
VYBLWTDMBYNZCN-UHFFFAOYSA-N
Compound name
ethyl N-benzyl-N-[3-[benzyl(ethoxycarbonyl)amino]-2-hydroxypropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.21548 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.22276 203.4
[M+Na]+ 437.20470 203.4
[M-H]- 413.20820 209.6
[M+NH4]+ 432.24930 212.5
[M+K]+ 453.17864 203.2
[M+H-H2O]+ 397.21274 192.9
[M+HCOO]- 459.21368 224.6
[M+CH3COO]- 473.22933 231.5
[M+Na-2H]- 435.19015 202.2
[M]+ 414.21493 208.2
[M]- 414.21603 208.2
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.