CID 17040109

3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)naphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C26H19NO4
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C26H19NO4/c28-25(29)22-13-16-7-1-2-8-17(16)14-24(22)27-26(30)31-15-23-20-11-5-3-9-18(20)19-10-4-6-12-21(19)23/h1-14,23H,15H2,(H,27,30)(H,28,29)
InChIKey
MSOMSMIPRIHFGS-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

234
Patents

409.1314 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.13868 195.4
[M+Na]+ 432.12062 201.7
[M-H]- 408.12412 203.3
[M+NH4]+ 427.16522 208.9
[M+K]+ 448.09456 195.8
[M+H-H2O]+ 392.12866 186.5
[M+HCOO]- 454.12960 213.6
[M+CH3COO]- 468.14525 204.5
[M+Na-2H]- 430.10607 198.4
[M]+ 409.13085 197.1
[M]- 409.13195 197.1
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