CID 162342505

2679951-28-9

Structural Information

Molecular Formula
C39H34N2O5
SMILES
C[C@](CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)(C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C39H34N2O5/c1-38(36(43)44,41-37(45)46-26-34-32-23-13-11-21-30(32)31-22-12-14-24-33(31)34)25-35(42)40-39(27-15-5-2-6-16-27,28-17-7-3-8-18-28)29-19-9-4-10-20-29/h2-24,34H,25-26H2,1H3,(H,40,42)(H,41,45)(H,43,44)/t38-/m0/s1
InChIKey
QRJMDUXGLSPXFW-LHEWISCISA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-4-oxo-4-(tritylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.24677 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.25405 248.3
[M+Na]+ 633.23599 259.7
[M+NH4]+ 628.28059 253.2
[M+K]+ 649.20993 253.8
[M-H]- 609.23949 255.8
[M+Na-2H]- 631.22144 257.4
[M]+ 610.24622 252.0
[M]- 610.24732 252.0
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.