CID 103663874

1262637-42-2

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

9
Patents

387.14706 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.154336 192.2
[M+Na]+ 410.136278 197.2
[M-H]- 386.139784 199.1
[M+NH4]+ 405.180883 205.7
[M+K]+ 426.110218 192.5
[M+H-H2O]+ 370.144320 184.0
[M+HCOO]- 432.145261 210.7
[M+CH3COO]- 446.160911 221.4
[M+Na-2H]- 408.121726 193.0
[M]+ 387.14651142 193.7
[M]- 387.14760858 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