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]+ 408.099716 194.3
[M+Na]+ 430.081658 200.8
[M-H]- 406.085164 201.3
[M+NH4]+ 425.126263 208.1
[M+K]+ 446.055598 194.8
[M+H-H2O]+ 390.089700 187.1
[M+HCOO]- 452.090641 208.9
[M+CH3COO]- 466.106291 203.6
[M+Na-2H]- 428.067106 195.3
[M]+ 407.09189142 198.3
[M]- 407.09298858 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.