CID 138040521

2243514-25-0

Structural Information

Molecular Formula
C20H17N3O4
SMILES
CN1C=C(C(=N1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C20H17N3O4/c1-23-10-17(18(22-23)19(24)25)21-20(26)27-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-10,16H,11H2,1H3,(H,21,26)(H,24,25)
InChIKey
IUFRHURWADUJLQ-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.12192 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.12920 184.6
[M+Na]+ 386.11114 195.7
[M+NH4]+ 381.15574 190.5
[M+K]+ 402.08508 194.1
[M-H]- 362.11464 186.5
[M+Na-2H]- 384.09659 188.4
[M]+ 363.12137 186.4
[M]- 363.12247 186.4
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.