CID 137965638

2230799-79-6

Structural Information

Molecular Formula
C23H19NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=CC(=C(C=C4)C(=O)O)O
InChI
InChI=1S/C23H19NO5/c25-21-11-14(9-10-19(21)22(26)27)12-24-23(28)29-13-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-11,20,25H,12-13H2,(H,24,28)(H,26,27)
InChIKey
YELRURBGWLCOTC-UHFFFAOYSA-N
Compound name
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1263 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.13358 189.7
[M+Na]+ 412.11552 195.7
[M-H]- 388.11902 195.8
[M+NH4]+ 407.16012 202.8
[M+K]+ 428.08946 190.9
[M+H-H2O]+ 372.12356 181.9
[M+HCOO]- 434.12450 208.3
[M+CH3COO]- 448.14015 219.0
[M+Na-2H]- 410.10097 191.5
[M]+ 389.12575 191.7
[M]- 389.12685 191.7
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.