CID 11057866

3-amino-5-hydroxybenzoic acid, n-fmoc protected

Structural Information

Molecular Formula
C22H17NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC(=CC(=C4)C(=O)O)O
InChI
InChI=1S/C22H17NO5/c24-15-10-13(21(25)26)9-14(11-15)23-22(27)28-12-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-11,20,24H,12H2,(H,23,27)(H,25,26)
InChIKey
WGBZDECNYLZYRE-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1107 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.11798 185.1
[M+Na]+ 398.09992 191.7
[M-H]- 374.10342 191.5
[M+NH4]+ 393.14452 198.9
[M+K]+ 414.07386 187.0
[M+H-H2O]+ 358.10796 177.6
[M+HCOO]- 420.10890 204.1
[M+CH3COO]- 434.12455 216.1
[M+Na-2H]- 396.08537 187.5
[M]+ 375.11015 186.8
[M]- 375.11125 186.8
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.