CID 469842

Chembl301002

Structural Information

Molecular Formula
C27H38N2O5
SMILES
CC(C)COC(=O)N(CC1=CC=CC=C1)CC(CN(CC2=CC=CC=C2)C(=O)OCC(C)C)O
InChI
InChI=1S/C27H38N2O5/c1-21(2)19-33-26(31)28(15-23-11-7-5-8-12-23)17-25(30)18-29(27(32)34-20-22(3)4)16-24-13-9-6-10-14-24/h5-14,21-22,25,30H,15-20H2,1-4H3
InChIKey
SGEMSTRJPLAZAU-UHFFFAOYSA-N
Compound name
2-methylpropyl N-benzyl-N-[3-[benzyl(2-methylpropoxycarbonyl)amino]-2-hydroxypropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

470.27808 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.28536 221.2
[M+Na]+ 493.26730 218.9
[M-H]- 469.27080 226.7
[M+NH4]+ 488.31190 227.8
[M+K]+ 509.24124 219.2
[M+H-H2O]+ 453.27534 210.5
[M+HCOO]- 515.27628 239.0
[M+CH3COO]- 529.29193 244.8
[M+Na-2H]- 491.25275 215.6
[M]+ 470.27753 226.2
[M]- 470.27863 226.2
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

No patent data available for this compound.