CID 103893206

1702760-26-6

Structural Information

Molecular Formula
C22H21N3O4
SMILES
CC1=NN(C=C1C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C
InChI
InChI=1S/C22H21N3O4/c1-13-18(11-25(2)24-13)20(21(26)27)23-22(28)29-12-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-11,19-20H,12H2,1-2H3,(H,23,28)(H,26,27)
InChIKey
PDYQQBXLALYWJO-UHFFFAOYSA-N
Compound name
2-(1,3-dimethylpyrazol-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1532 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.160476 192.9
[M+Na]+ 414.142418 199.3
[M-H]- 390.145924 198.4
[M+NH4]+ 409.187023 205.9
[M+K]+ 430.116358 195.2
[M+H-H2O]+ 374.150460 184.7
[M+HCOO]- 436.151401 210.5
[M+CH3COO]- 450.167051 222.0
[M+Na-2H]- 412.127866 191.6
[M]+ 391.15265142 196.3
[M]- 391.15374858 196.3
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.