CID 67176245

224173-51-7

Structural Information

Molecular Formula
C20H18N4O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CN4C=NC=N4)C(=O)O
InChI
InChI=1S/C20H18N4O4/c25-19(26)18(9-24-12-21-11-22-24)23-20(27)28-10-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,11-12,17-18H,9-10H2,(H,23,27)(H,25,26)
InChIKey
XGPCEHLWWDGWIG-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1,2,4-triazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

378.1328 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14008 186.8
[M+Na]+ 401.12202 196.6
[M+NH4]+ 396.16662 191.8
[M+K]+ 417.09596 195.8
[M-H]- 377.12552 187.6
[M+Na-2H]- 399.10747 190.5
[M]+ 378.13225 187.9
[M]- 378.13335 187.9
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