CID 16074308

2-(1h-6-indazolyl)amino-4-methoxy-6-methylamino-1,3,5-triazine-1-methylamine

Structural Information

Molecular Formula
C13H18N8O
SMILES
CNC1N=C(N=C(N1CN)NC2=CC3=C(C=C2)C=NN3)OC
InChI
InChI=1S/C13H18N8O/c1-15-11-18-13(22-2)19-12(21(11)7-14)17-9-4-3-8-6-16-20-10(8)5-9/h3-6,11,15H,7,14H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKey
RNHDPPQTOYKCNC-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-4-N-(1H-indazol-6-yl)-6-methoxy-2-N-methyl-2H-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.16037 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.16765 168.8
[M+Na]+ 325.14959 178.0
[M-H]- 301.15309 169.7
[M+NH4]+ 320.19419 178.7
[M+K]+ 341.12353 172.0
[M+H-H2O]+ 285.15763 158.3
[M+HCOO]- 347.15857 188.7
[M+CH3COO]- 361.17422 178.4
[M+Na-2H]- 323.13504 175.7
[M]+ 302.15982 168.0
[M]- 302.16092 168.0
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.