CID 121604532

1379871-85-8

Structural Information

Molecular Formula
C22H21N3O4
SMILES
CN1C=C(C=N1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H21N3O4/c1-25-12-14(11-23-25)10-20(21(26)27)24-22(28)29-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,11-12,19-20H,10,13H2,1H3,(H,24,28)(H,26,27)
InChIKey
SNLCYFZDTMMYJA-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-methylpyrazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

391.1532 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.16048 192.4
[M+Na]+ 414.14242 202.4
[M+NH4]+ 409.18702 197.9
[M+K]+ 430.11636 201.0
[M-H]- 390.14592 194.1
[M+Na-2H]- 412.12787 195.8
[M]+ 391.15265 193.9
[M]- 391.15375 193.9
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

patents stripe