CID 154734073

2138195-06-7

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]-1-methylpyrazole-5-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]+ 378.144816 188.1
[M+Na]+ 400.126758 195.4
[M-H]- 376.130264 193.8
[M+NH4]+ 395.171363 201.8
[M+K]+ 416.100698 190.8
[M+H-H2O]+ 360.134800 179.9
[M+HCOO]- 422.135741 207.1
[M+CH3COO]- 436.151391 218.2
[M+Na-2H]- 398.112206 188.4
[M]+ 377.13699142 191.8
[M]- 377.13808858 191.8
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.