CID 51340606

1263046-43-0

Structural Information

Molecular Formula
C40H36N2O5
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CCC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C40H36N2O5/c43-37(42-40(28-15-4-1-5-16-28,29-17-6-2-7-18-29)30-19-8-3-9-20-30)26-14-25-36(38(44)45)41-39(46)47-27-35-33-23-12-10-21-31(33)32-22-11-13-24-34(32)35/h1-13,15-24,35-36H,14,25-27H2,(H,41,46)(H,42,43)(H,44,45)/t36-/m0/s1
InChIKey
NFAHDTODHGODCZ-BHVANESWSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxo-6-(tritylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

624.26245 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.26973 245.9
[M+Na]+ 647.25167 243.0
[M-H]- 623.25517 256.0
[M+NH4]+ 642.29627 246.7
[M+K]+ 663.22561 238.3
[M+H-H2O]+ 607.25971 233.7
[M+HCOO]- 669.26065 259.1
[M+CH3COO]- 683.27630 265.2
[M+Na-2H]- 645.23712 245.7
[M]+ 624.26190 245.0
[M]- 624.26300 245.0
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.