CID 137937527

2243509-43-3

Structural Information

Molecular Formula
C20H17N3O4
SMILES
CN1C=C(C(=N1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C20H17N3O4/c1-23-10-16(19(24)25)18(22-23)21-20(26)27-11-17-14-8-4-2-6-12(14)13-7-3-5-9-15(13)17/h2-10,17H,11H2,1H3,(H,24,25)(H,21,22,26)
InChIKey
GCOFQUWWUANNDN-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-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 183.6
[M+Na]+ 386.11114 191.4
[M-H]- 362.11464 189.5
[M+NH4]+ 381.15574 197.9
[M+K]+ 402.08508 187.0
[M+H-H2O]+ 346.11918 175.6
[M+HCOO]- 408.12012 203.0
[M+CH3COO]- 422.13577 193.8
[M+Na-2H]- 384.09659 184.4
[M]+ 363.12137 187.0
[M]- 363.12247 187.0
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.