CID 154734073

4-[({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-1-methyl-1h-pyrazole-5-carboxylic acid

Structural Information

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

2.7
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.

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No patent data available for this compound.