CID 137952381

1145678-35-8

Structural Information

Molecular Formula
C25H21N3O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC5=C(C=C4)NN=C5)C(=O)O
InChI
InChI=1S/C25H21N3O4/c29-24(30)23(12-15-9-10-22-16(11-15)13-26-28-22)27-25(31)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-11,13,21,23H,12,14H2,(H,26,28)(H,27,31)(H,29,30)
InChIKey
LRUFXYNWQBCGMU-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

427.1532 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.16048 197.9
[M+Na]+ 450.14242 203.5
[M-H]- 426.14592 202.9
[M+NH4]+ 445.18702 209.0
[M+K]+ 466.11636 197.7
[M+H-H2O]+ 410.15046 189.3
[M+HCOO]- 472.15140 213.9
[M+CH3COO]- 486.16705 205.8
[M+Na-2H]- 448.12787 199.2
[M]+ 427.15265 200.2
[M]- 427.15375 200.2
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