CID 9902564

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

Structural Information

Molecular Formula
C16H19N7O2
SMILES
COC1=NC(=NC(=N1)N2CCC(CC2)O)NC3=CC4=C(C=C3)NN=C4
InChI
InChI=1S/C16H19N7O2/c1-25-16-20-14(18-11-2-3-13-10(8-11)9-17-22-13)19-15(21-16)23-6-4-12(24)5-7-23/h2-3,8-9,12,24H,4-7H2,1H3,(H,17,22)(H,18,19,20,21)
InChIKey
KVKRVFCMOMOWNK-UHFFFAOYSA-N
Compound name
1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16003 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16731 179.7
[M+Na]+ 364.14925 187.6
[M-H]- 340.15275 180.6
[M+NH4]+ 359.19385 185.6
[M+K]+ 380.12319 180.2
[M+H-H2O]+ 324.15729 167.6
[M+HCOO]- 386.15823 192.5
[M+CH3COO]- 400.17388 187.2
[M+Na-2H]- 362.13470 184.1
[M]+ 341.15948 176.8
[M]- 341.16058 176.8
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.