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 241.5
[M+Na]+ 633.23599 239.8
[M-H]- 609.23949 252.1
[M+NH4]+ 628.28059 243.1
[M+K]+ 649.20993 235.5
[M+H-H2O]+ 593.24403 230.0
[M+HCOO]- 655.24497 254.5
[M+CH3COO]- 669.26062 262.1
[M+Na-2H]- 631.22144 244.3
[M]+ 610.24622 240.5
[M]- 610.24732 240.5
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.