CID 17040110

2-(3-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)phenyl)acetic acid

Structural Information

Molecular Formula
C23H19NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=CC(=C4)CC(=O)O
InChI
InChI=1S/C23H19NO4/c25-22(26)13-15-6-5-7-16(12-15)24-23(27)28-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21H,13-14H2,(H,24,27)(H,25,26)
InChIKey
DFSRRXZHWJUCFU-UHFFFAOYSA-N
Compound name
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

373.1314 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.138676 187.3
[M+Na]+ 396.120618 193.2
[M-H]- 372.124124 194.4
[M+NH4]+ 391.165223 201.6
[M+K]+ 412.094558 188.1
[M+H-H2O]+ 356.128660 179.1
[M+HCOO]- 418.129601 207.3
[M+CH3COO]- 432.145251 217.6
[M+Na-2H]- 394.106066 189.8
[M]+ 373.13085142 189.2
[M]- 373.13194858 189.2
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