CID 23726002

Schembl5318235

Structural Information

Molecular Formula
C23H22N4O5
SMILES
CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)NC3=NC=C(O3)C4=CC=C(C=C4)C(=O)OC)C=N1
InChI
InChI=1S/C23H22N4O5/c1-23(2,3)32-22(29)27-18-10-9-17(11-16(18)12-25-27)26-21-24-13-19(31-21)14-5-7-15(8-6-14)20(28)30-4/h5-13H,1-4H3,(H,24,26)
InChIKey
AYBNVIUJZMFXNA-UHFFFAOYSA-N
Compound name
tert-butyl 5-[[5-(4-methoxycarbonylphenyl)-1,3-oxazol-2-yl]amino]indazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

434.15903 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.16631 203.1
[M+Na]+ 457.14825 211.1
[M-H]- 433.15175 212.6
[M+NH4]+ 452.19285 211.4
[M+K]+ 473.12219 209.1
[M+H-H2O]+ 417.15629 193.8
[M+HCOO]- 479.15723 222.1
[M+CH3COO]- 493.17288 228.5
[M+Na-2H]- 455.13370 204.7
[M]+ 434.15848 211.0
[M]- 434.15958 211.0
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