CID 10133738

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

Structural Information

Molecular Formula
C17H22N8O2
SMILES
COC1=NC(=NC(=N1)N2CCN(CC2)CCO)NC3=CC4=C(C=C3)NN=C4
InChI
InChI=1S/C17H22N8O2/c1-27-17-21-15(19-13-2-3-14-12(10-13)11-18-23-14)20-16(22-17)25-6-4-24(5-7-25)8-9-26/h2-3,10-11,26H,4-9H2,1H3,(H,18,23)(H,19,20,21,22)
InChIKey
RMLATONUJAXYLK-UHFFFAOYSA-N
Compound name
2-[4-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.18658 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19386 188.1
[M+Na]+ 393.17580 195.5
[M-H]- 369.17930 187.5
[M+NH4]+ 388.22040 191.5
[M+K]+ 409.14974 187.6
[M+H-H2O]+ 353.18384 175.3
[M+HCOO]- 415.18478 199.1
[M+CH3COO]- 429.20043 194.3
[M+Na-2H]- 391.16125 191.9
[M]+ 370.18603 185.9
[M]- 370.18713 185.9
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.