CID 132351145

2137821-77-1

Structural Information

Molecular Formula
C21H19N3O4
SMILES
CN1C(=CC(=N1)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H19N3O4/c1-24-19(20(25)26)10-13(23-24)11-22-21(27)28-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-10,18H,11-12H2,1H3,(H,22,27)(H,25,26)
InChIKey
DQEJMWHZJRIZOA-UHFFFAOYSA-N
Compound name
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.13754 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14482 189.0
[M+Na]+ 400.12676 199.9
[M+NH4]+ 395.17136 194.8
[M+K]+ 416.10070 198.1
[M-H]- 376.13026 191.0
[M+Na-2H]- 398.11221 192.6
[M]+ 377.13699 190.8
[M]- 377.13809 190.8
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.