CID 23725621

Schembl5318199

Structural Information

Molecular Formula
C23H22N4O3
SMILES
CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)NC3=NC=C(O3)C4=CC=C(C=C4)C=C)C=N1
InChI
InChI=1S/C23H22N4O3/c1-5-15-6-8-16(9-7-15)20-14-24-21(29-20)26-18-10-11-19-17(12-18)13-25-27(19)22(28)30-23(2,3)4/h5-14H,1H2,2-4H3,(H,24,26)
InChIKey
JPCJNCLABVPLSS-UHFFFAOYSA-N
Compound name
tert-butyl 5-[[5-(4-ethenylphenyl)-1,3-oxazol-2-yl]amino]indazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

402.1692 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.17648 198.8
[M+Na]+ 425.15842 207.9
[M-H]- 401.16192 208.0
[M+NH4]+ 420.20302 208.7
[M+K]+ 441.13236 203.5
[M+H-H2O]+ 385.16646 189.4
[M+HCOO]- 447.16740 218.5
[M+CH3COO]- 461.18305 209.0
[M+Na-2H]- 423.14387 200.7
[M]+ 402.16865 204.6
[M]- 402.16975 204.6
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