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 180.2
[M+Na]+ 372.09548 190.7
[M+NH4]+ 367.14008 186.0
[M+K]+ 388.06942 189.4
[M-H]- 348.09898 181.7
[M+Na-2H]- 370.08093 184.0
[M]+ 349.10571 181.7
[M]- 349.10681 181.7
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.