CID 13672525

1,2,4-triazin-3(2h)-one, 6-amino-5-((4-((4-(1-piperidinylmethyl)-2-pyridinyl)oxy)-2-butenyl)amino)-, (z)-

Structural Information

Molecular Formula
C18H25N7O2
SMILES
C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C\CNC3=NC(=O)NN=C3N
InChI
InChI=1S/C18H25N7O2/c19-16-17(22-18(26)24-23-16)21-7-2-5-11-27-15-12-14(6-8-20-15)13-25-9-3-1-4-10-25/h2,5-6,8,12H,1,3-4,7,9-11,13H2,(H2,19,23)(H2,21,22,24,26)/b5-2-
InChIKey
FHYNKRLVVQNHLO-DJWKRKHSSA-N
Compound name
6-amino-5-[[(Z)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]amino]-2H-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.20697 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.21425 189.9
[M+Na]+ 394.19619 193.9
[M-H]- 370.19969 190.1
[M+NH4]+ 389.24079 192.8
[M+K]+ 410.17013 186.3
[M+H-H2O]+ 354.20423 176.7
[M+HCOO]- 416.20517 203.6
[M+CH3COO]- 430.22082 217.8
[M+Na-2H]- 392.18164 193.5
[M]+ 371.20642 184.2
[M]- 371.20752 184.2
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.