CID 124300180

258332-42-2

Structural Information

Molecular Formula
C24H20ClNO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N(CC4=CC=C(C=C4)Cl)CC(=O)O
InChI
InChI=1S/C24H20ClNO4/c25-17-11-9-16(10-12-17)13-26(14-23(27)28)24(29)30-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22H,13-15H2,(H,27,28)
InChIKey
IWDQSRGBOLDOST-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.1081 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.11538 199.7
[M+Na]+ 444.09732 206.1
[M-H]- 420.10082 207.8
[M+NH4]+ 439.14192 213.6
[M+K]+ 460.07126 200.6
[M+H-H2O]+ 404.10536 191.9
[M+HCOO]- 466.10630 215.4
[M+CH3COO]- 480.12195 227.0
[M+Na-2H]- 442.08277 200.4
[M]+ 421.10755 205.7
[M]- 421.10865 205.7
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.