CID 137698912

1876626-87-7

Structural Information

Molecular Formula
C24H21NO4
SMILES
CCC1=CC(=C(C=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C24H21NO4/c1-2-15-11-12-22(20(13-15)23(26)27)25-24(28)29-14-21-18-9-5-3-7-16(18)17-8-4-6-10-19(17)21/h3-13,21H,2,14H2,1H3,(H,25,28)(H,26,27)
InChIKey
UAFXOKATUHOSTR-UHFFFAOYSA-N
Compound name
5-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.14706 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15434 192.4
[M+Na]+ 410.13628 198.7
[M-H]- 386.13978 199.6
[M+NH4]+ 405.18088 206.4
[M+K]+ 426.11022 193.4
[M+H-H2O]+ 370.14432 184.2
[M+HCOO]- 432.14526 212.0
[M+CH3COO]- 446.16091 221.8
[M+Na-2H]- 408.12173 193.6
[M]+ 387.14651 195.0
[M]- 387.14761 195.0
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.