CID 121604556

1910775-98-2

Structural Information

Molecular Formula
C23H23N3O4
SMILES
CC1=C(C(=NN1C)C)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H23N3O4/c1-13-20(14(2)26(3)25-13)21(22(27)28)24-23(29)30-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19,21H,12H2,1-3H3,(H,24,29)(H,27,28)
InChIKey
KZDHKUMGCCRKOV-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.16885 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.17613 197.9
[M+Na]+ 428.15807 204.7
[M-H]- 404.16157 203.7
[M+NH4]+ 423.20267 210.6
[M+K]+ 444.13201 200.5
[M+H-H2O]+ 388.16611 190.0
[M+HCOO]- 450.16705 215.1
[M+CH3COO]- 464.18270 226.2
[M+Na-2H]- 426.14352 195.4
[M]+ 405.16830 202.1
[M]- 405.16940 202.1
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.