CID 44828577

(2r)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-3-[1-(triphenylmethyl)-1h-imidazol-4-yl]propanoic acid

Structural Information

Molecular Formula
C40H33N3O4
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C[C@H](C(=O)O)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChI
InChI=1S/C40H33N3O4/c44-38(45)37(42-39(46)47-26-36-34-22-12-10-20-32(34)33-21-11-13-23-35(33)36)24-31-25-43(27-41-31)40(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-23,25,27,36-37H,24,26H2,(H,42,46)(H,44,45)/t37-/m1/s1
InChIKey
XXMYDXUIZKNHDT-DIPNUNPCSA-N
Compound name
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-tritylimidazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

619.24713 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.25441 241.9
[M+Na]+ 642.23635 241.7
[M-H]- 618.23985 254.3
[M+NH4]+ 637.28095 242.5
[M+K]+ 658.21029 235.5
[M+H-H2O]+ 602.24439 229.3
[M+HCOO]- 664.24533 254.1
[M+CH3COO]- 678.26098 245.3
[M+Na-2H]- 640.22180 240.3
[M]+ 619.24658 241.3
[M]- 619.24768 241.3
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

patents stripe