CID 24820584

1033622-38-6

Structural Information

Molecular Formula
C20H17NO4
SMILES
C#CCN(CC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H17NO4/c1-2-11-21(12-19(22)23)20(24)25-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h1,3-10,18H,11-13H2,(H,22,23)
InChIKey
BTHZEMFPZILBCR-UHFFFAOYSA-N
Compound name
2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-ynyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

335.11575 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.12303 186.6
[M+Na]+ 358.10497 195.6
[M-H]- 334.10847 189.2
[M+NH4]+ 353.14957 201.3
[M+K]+ 374.07891 188.0
[M+H-H2O]+ 318.11301 173.6
[M+HCOO]- 380.11395 201.1
[M+CH3COO]- 394.12960 217.6
[M+Na-2H]- 356.09042 186.5
[M]+ 335.11520 184.0
[M]- 335.11630 184.0
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