CID 9885863

Npc-16570

Structural Information

Molecular Formula
C23H19NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)CCOC(=O)NC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C23H19NO4/c25-22(26)15-9-11-16(12-10-15)24-23(27)28-14-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13-14H2,(H,24,27)(H,25,26)
InChIKey
QEOCEMPNYKUMCJ-UHFFFAOYSA-N
Compound name
4-[2-(9H-fluoren-9-yl)ethoxycarbonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

118
Patents

373.1314 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.13868 187.3
[M+Na]+ 396.12062 193.2
[M-H]- 372.12412 194.4
[M+NH4]+ 391.16522 201.6
[M+K]+ 412.09456 188.1
[M+H-H2O]+ 356.12866 179.1
[M+HCOO]- 418.12960 207.3
[M+CH3COO]- 432.14525 217.6
[M+Na-2H]- 394.10607 189.8
[M]+ 373.13085 189.2
[M]- 373.13195 189.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe