CID 10200820

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

Structural Information

Molecular Formula
C19H23N7O3
SMILES
CCOC(=O)C1CCN(CC1)C2=NC(=NC(=N2)NC3=CC4=C(C=C3)NN=C4)OC
InChI
InChI=1S/C19H23N7O3/c1-3-29-16(27)12-6-8-26(9-7-12)18-22-17(23-19(24-18)28-2)21-14-4-5-15-13(10-14)11-20-25-15/h4-5,10-12H,3,6-9H2,1-2H3,(H,20,25)(H,21,22,23,24)
InChIKey
WBXDZEBYSMAFPE-UHFFFAOYSA-N
Compound name
ethyl 1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.18625 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19353 193.8
[M+Na]+ 420.17547 200.3
[M-H]- 396.17897 195.6
[M+NH4]+ 415.22007 197.9
[M+K]+ 436.14941 194.0
[M+H-H2O]+ 380.18351 181.0
[M+HCOO]- 442.18445 206.3
[M+CH3COO]- 456.20010 200.4
[M+Na-2H]- 418.16092 196.3
[M]+ 397.18570 193.5
[M]- 397.18680 193.5
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.