CID 16244027

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

Structural Information

Molecular Formula
C23H18ClNO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(C4=CC(=CC=C4)Cl)C(=O)O
InChI
InChI=1S/C23H18ClNO4/c24-15-7-5-6-14(12-15)21(22(26)27)25-23(28)29-13-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-12,20-21H,13H2,(H,25,28)(H,26,27)
InChIKey
IWNXWBFVGWGSRR-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.09244 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.09972 194.3
[M+Na]+ 430.08166 200.8
[M-H]- 406.08516 201.3
[M+NH4]+ 425.12626 208.1
[M+K]+ 446.05560 194.8
[M+H-H2O]+ 390.08970 187.1
[M+HCOO]- 452.09064 208.9
[M+CH3COO]- 466.10629 203.6
[M+Na-2H]- 428.06711 195.3
[M]+ 407.09189 198.3
[M]- 407.09299 198.3
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.