CID 15138257

Fmoc-asn(trt)-opfp

Structural Information

Molecular Formula
C44H31F5N2O5
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)C[C@@H](C(=O)OC4=C(C(=C(C(=C4F)F)F)F)F)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChI
InChI=1S/C44H31F5N2O5/c45-36-37(46)39(48)41(40(49)38(36)47)56-42(53)34(50-43(54)55-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)24-35(52)51-44(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-23,33-34H,24-25H2,(H,50,54)(H,51,52)/t34-/m0/s1
InChIKey
YSONQVIVMGOLBG-UMSFTDKQSA-N
Compound name
(2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

762.21533 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 763.22261 278.1
[M+Na]+ 785.20455 279.4
[M-H]- 761.20805 287.0
[M+NH4]+ 780.24915 274.4
[M+K]+ 801.17849 273.2
[M+H-H2O]+ 745.21259 260.0
[M+HCOO]- 807.21353 286.5
[M+CH3COO]- 821.22918 278.4
[M+Na-2H]- 783.19000 271.8
[M]+ 762.21478 275.0
[M]- 762.21588 275.0
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

patents stripe