CID 138040568

2243513-03-1

Structural Information

Molecular Formula
C24H21NO4
SMILES
CC1=CC(=C(C=C1C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C24H21NO4/c1-14-11-20(23(26)27)22(12-15(14)2)25-24(28)29-13-21-18-9-5-3-7-16(18)17-8-4-6-10-19(17)21/h3-12,21H,13H2,1-2H3,(H,25,28)(H,26,27)
InChIKey
JRKCKCNSCYMXKV-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,5-dimethylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.14706 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15434 192.7
[M+Na]+ 410.13628 199.9
[M-H]- 386.13978 200.4
[M+NH4]+ 405.18088 207.0
[M+K]+ 426.11022 194.8
[M+H-H2O]+ 370.14432 184.8
[M+HCOO]- 432.14526 212.2
[M+CH3COO]- 446.16091 223.1
[M+Na-2H]- 408.12173 193.3
[M]+ 387.14651 195.7
[M]- 387.14761 195.7
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

No patent data available for this compound.