CID 10222506

Ethyl 4-[4-(1h-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-1-carboxylate

Structural Information

Molecular Formula
C18H22N8O3
SMILES
CCOC(=O)N1CCN(CC1)C2=NC(=NC(=N2)NC3=CC4=C(C=C3)NN=C4)OC
InChI
InChI=1S/C18H22N8O3/c1-3-29-18(27)26-8-6-25(7-9-26)16-21-15(22-17(23-16)28-2)20-13-4-5-14-12(10-13)11-19-24-14/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,24)(H,20,21,22,23)
InChIKey
CYNBSFFMQDIBEA-UHFFFAOYSA-N
Compound name
ethyl 4-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1815 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18878 194.4
[M+Na]+ 421.17072 201.5
[M-H]- 397.17422 195.2
[M+NH4]+ 416.21532 197.2
[M+K]+ 437.14466 194.9
[M+H-H2O]+ 381.17876 181.3
[M+HCOO]- 443.17970 205.8
[M+CH3COO]- 457.19535 200.7
[M+Na-2H]- 419.15617 197.3
[M]+ 398.18095 194.1
[M]- 398.18205 194.1
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.