CID 15672979

(2s)-3-(4-{[bis(benzyloxy)phosphoryl]oxy}phenyl)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

Structural Information

Molecular Formula
C38H34NO8P
SMILES
C1=CC=C(C=C1)COP(=O)(OCC2=CC=CC=C2)OC3=CC=C(C=C3)C[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C38H34NO8P/c40-37(41)36(39-38(42)44-26-35-33-17-9-7-15-31(33)32-16-8-10-18-34(32)35)23-27-19-21-30(22-20-27)47-48(43,45-24-28-11-3-1-4-12-28)46-25-29-13-5-2-6-14-29/h1-22,35-36H,23-26H2,(H,39,42)(H,40,41)/t36-/m0/s1
InChIKey
JSTYRDUOBZALLV-BHVANESWSA-N
Compound name
(2S)-3-[4-bis(phenylmethoxy)phosphoryloxyphenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

663.2022 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.20948 251.7
[M+Na]+ 686.19142 249.1
[M-H]- 662.19492 261.1
[M+NH4]+ 681.23602 251.3
[M+K]+ 702.16536 247.5
[M+H-H2O]+ 646.19946 236.4
[M+HCOO]- 708.20040 270.0
[M+CH3COO]- 722.21605 268.3
[M+Na-2H]- 684.17687 248.8
[M]+ 663.20165 255.1
[M]- 663.20275 255.1
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