CID 10113581

2-(1h-5-indazolyl)amino-4-methoxy-6-(4-nicotinoyl)-piperazino-1,3,5-triazine

Structural Information

Molecular Formula
C21H21N9O2
SMILES
COC1=NC(=NC(=N1)N2CCN(CC2)C(=O)C3=CN=CC=C3)NC4=CC5=C(C=C4)NN=C5
InChI
InChI=1S/C21H21N9O2/c1-32-21-26-19(24-16-4-5-17-15(11-16)13-23-28-17)25-20(27-21)30-9-7-29(8-10-30)18(31)14-3-2-6-22-12-14/h2-6,11-13H,7-10H2,1H3,(H,23,28)(H,24,25,26,27)
InChIKey
UKNIUDLYLQGRBK-UHFFFAOYSA-N
Compound name
[4-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.18182 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.18910 201.1
[M+Na]+ 454.17104 208.0
[M-H]- 430.17454 203.7
[M+NH4]+ 449.21564 200.4
[M+K]+ 470.14498 198.9
[M+H-H2O]+ 414.17908 186.4
[M+HCOO]- 476.18002 210.8
[M+CH3COO]- 490.19567 206.2
[M+Na-2H]- 452.15649 204.8
[M]+ 431.18127 198.3
[M]- 431.18237 198.3
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.