CID 10133245

2-(1h-6-indazolyl)amino-4-methoxy-6-(2-(2-pyridyl)ethyl)amino-1,3,5-triazine

Structural Information

Molecular Formula
C18H18N8O
SMILES
COC1=NC(=NC(=N1)NC2=CC3=C(C=C2)C=NN3)NCCC4=CC=CC=N4
InChI
InChI=1S/C18H18N8O/c1-27-18-24-16(20-9-7-13-4-2-3-8-19-13)23-17(25-18)22-14-6-5-12-11-21-26-15(12)10-14/h2-6,8,10-11H,7,9H2,1H3,(H,21,26)(H2,20,22,23,24,25)
InChIKey
NBRRDYWXDPGJGB-UHFFFAOYSA-N
Compound name
2-N-(1H-indazol-6-yl)-6-methoxy-4-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.16037 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.16765 181.6
[M+Na]+ 385.14959 190.3
[M-H]- 361.15309 184.2
[M+NH4]+ 380.19419 187.0
[M+K]+ 401.12353 182.0
[M+H-H2O]+ 345.15763 168.8
[M+HCOO]- 407.15857 200.2
[M+CH3COO]- 421.17422 189.9
[M+Na-2H]- 383.13504 190.5
[M]+ 362.15982 182.7
[M]- 362.16092 182.7
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.