CID 3073048

N-(n'-tert-butoxycarbonylleucyl)benzoaza-15-crown-5

Structural Information

Molecular Formula
C25H40N2O7
SMILES
CC(C)C[C@@H](C(=O)N1CCOCCOC2=CC=CC=C2OCCOCC1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C25H40N2O7/c1-19(2)18-20(26-24(29)34-25(3,4)5)23(28)27-10-12-30-14-16-32-21-8-6-7-9-22(21)33-17-15-31-13-11-27/h6-9,19-20H,10-18H2,1-5H3,(H,26,29)/t20-/m0/s1
InChIKey
ISVARYPDBKLVSA-FQEVSTJZSA-N
Compound name
tert-butyl N-[(2S)-4-methyl-1-oxo-1-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)pentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.28354 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.29082 209.9
[M+Na]+ 503.27276 215.1
[M+NH4]+ 498.31736 211.0
[M+K]+ 519.24670 214.6
[M-H]- 479.27626 214.3
[M+Na-2H]- 501.25821 208.5
[M]+ 480.28299 211.1
[M]- 480.28409 211.1
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.