CID 10270380

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

Structural Information

Molecular Formula
C17H20N8O2
SMILES
COC1=NC(=NC(=N1)N2CCC(CC2)C(=O)N)NC3=CC4=C(C=C3)NN=C4
InChI
InChI=1S/C17H20N8O2/c1-27-17-22-15(20-12-2-3-13-11(8-12)9-19-24-13)21-16(23-17)25-6-4-10(5-7-25)14(18)26/h2-3,8-10H,4-7H2,1H3,(H2,18,26)(H,19,24)(H,20,21,22,23)
InChIKey
UVXDKZKCSIFGNG-UHFFFAOYSA-N
Compound name
1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.17093 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.17821 184.8
[M+Na]+ 391.16015 191.7
[M-H]- 367.16365 186.6
[M+NH4]+ 386.20475 189.6
[M+K]+ 407.13409 184.7
[M+H-H2O]+ 351.16819 172.5
[M+HCOO]- 413.16913 198.4
[M+CH3COO]- 427.18478 191.8
[M+Na-2H]- 389.14560 188.3
[M]+ 368.17038 181.3
[M]- 368.17148 181.3
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.