CID 103663874

1260591-18-1

Structural Information

Molecular Formula
C24H21NO4
SMILES
CC1=CC(=CC=C1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H21NO4/c1-15-7-6-8-16(13-15)22(23(26)27)25-24(28)29-14-21-19-11-4-2-9-17(19)18-10-3-5-12-20(18)21/h2-13,21-22H,14H2,1H3,(H,25,28)(H,26,27)
InChIKey
KOLKKDFRPXLKCC-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(3-methylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

387.14706 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15434 192.2
[M+Na]+ 410.13628 197.2
[M-H]- 386.13978 199.1
[M+NH4]+ 405.18088 205.7
[M+K]+ 426.11022 192.5
[M+H-H2O]+ 370.14432 184.0
[M+HCOO]- 432.14526 210.7
[M+CH3COO]- 446.16091 221.4
[M+Na-2H]- 408.12173 193.0
[M]+ 387.14651 193.7
[M]- 387.14761 193.7
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

patents stripe