CID 22593486

2-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)-5-methoxybenzoic acid

Structural Information

Molecular Formula
C23H19NO5
SMILES
COC1=CC(=C(C=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C23H19NO5/c1-28-14-10-11-21(19(12-14)22(25)26)24-23(27)29-13-20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-12,20H,13H2,1H3,(H,24,27)(H,25,26)
InChIKey
KSFFCSQFNZYKTE-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

389.1263 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.13358 190.2
[M+Na]+ 412.11552 196.7
[M-H]- 388.11902 197.6
[M+NH4]+ 407.16012 204.0
[M+K]+ 428.08946 192.5
[M+H-H2O]+ 372.12356 182.0
[M+HCOO]- 434.12450 210.3
[M+CH3COO]- 448.14015 221.1
[M+Na-2H]- 410.10097 192.3
[M]+ 389.12575 193.9
[M]- 389.12685 193.9
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