CID 44475087

1189357-50-3

Structural Information

Molecular Formula
C19H15NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC#CC(=O)O
InChI
InChI=1S/C19H15NO4/c21-18(22)10-5-11-20-19(23)24-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,11-12H2,(H,20,23)(H,21,22)
InChIKey
IEYYVGHBHUKCPA-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonylamino)but-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1001 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10738 182.9
[M+Na]+ 344.08932 192.5
[M-H]- 320.09282 184.5
[M+NH4]+ 339.13392 197.7
[M+K]+ 360.06326 183.9
[M+H-H2O]+ 304.09736 170.2
[M+HCOO]- 366.09830 197.4
[M+CH3COO]- 380.11395 210.9
[M+Na-2H]- 342.07477 184.0
[M]+ 321.09955 178.9
[M]- 321.10065 178.9
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

No patent data available for this compound.