CID 165887256

2-[4-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-3,5-dimethyl-1h-pyrazol-1-yl]acetic acid

Structural Information

Molecular Formula
C22H21N3O4
SMILES
CC1=C(C(=NN1CC(=O)O)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H21N3O4/c1-13-21(14(2)25(24-13)11-20(26)27)23-22(28)29-12-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19H,11-12H2,1-2H3,(H,23,28)(H,26,27)
InChIKey
GJIIFSDPGUKSDV-UHFFFAOYSA-N
Compound name
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,5-dimethylpyrazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1532 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.160476 193.3
[M+Na]+ 414.142418 201.0
[M-H]- 390.145924 199.2
[M+NH4]+ 409.187023 206.7
[M+K]+ 430.116358 196.3
[M+H-H2O]+ 374.150460 185.3
[M+HCOO]- 436.151401 211.9
[M+CH3COO]- 450.167051 222.4
[M+Na-2H]- 412.127866 192.4
[M]+ 391.15265142 197.7
[M]- 391.15374858 197.7
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.