CID 2761464

(2s)-3-(2-chlorophenyl)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

Structural Information

Molecular Formula
C24H20ClNO4
SMILES
C1=CC=C(C(=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)Cl
InChI
InChI=1S/C24H20ClNO4/c25-21-12-6-1-7-15(21)13-22(23(27)28)26-24(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
InChIKey
RNNKPNPLIMFSDY-QFIPXVFZSA-N
Compound name
(2S)-3-(2-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

421.1081 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.11538 198.9
[M+Na]+ 444.09732 204.9
[M-H]- 420.10082 205.7
[M+NH4]+ 439.14192 212.1
[M+K]+ 460.07126 198.7
[M+H-H2O]+ 404.10536 191.5
[M+HCOO]- 466.10630 213.1
[M+CH3COO]- 480.12195 224.8
[M+Na-2H]- 442.08277 199.4
[M]+ 421.10755 203.2
[M]- 421.10865 203.2
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