CID 121604276

1936394-09-0

Structural Information

Molecular Formula
C19H15N3O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=C(NN=C4)C(=O)O
InChI
InChI=1S/C19H15N3O4/c23-18(24)17-16(9-20-22-17)21-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-9,15H,10H2,(H,20,22)(H,21,25)(H,23,24)
InChIKey
VEQCSWDCGNPZCD-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.10626 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11354 177.9
[M+Na]+ 372.09548 184.8
[M-H]- 348.09898 182.2
[M+NH4]+ 367.14008 191.8
[M+K]+ 388.06942 179.9
[M+H-H2O]+ 332.10352 170.1
[M+HCOO]- 394.10446 196.2
[M+CH3COO]- 408.12011 187.7
[M+Na-2H]- 370.08093 179.7
[M]+ 349.10571 178.8
[M]- 349.10681 178.8
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.