CID 9836532

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

Structural Information

Molecular Formula
C14H17N7O2
SMILES
COCCNC1=NC(=NC(=N1)OC)NC2=CC3=C(C=C2)NN=C3
InChI
InChI=1S/C14H17N7O2/c1-22-6-5-15-12-18-13(20-14(19-12)23-2)17-10-3-4-11-9(7-10)8-16-21-11/h3-4,7-8H,5-6H2,1-2H3,(H,16,21)(H2,15,17,18,19,20)
InChIKey
SPJBPVWSJBAZNT-UHFFFAOYSA-N
Compound name
2-N-(1H-indazol-5-yl)-6-methoxy-4-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.14438 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15166 169.6
[M+Na]+ 338.13360 178.8
[M-H]- 314.13710 170.5
[M+NH4]+ 333.17820 178.9
[M+K]+ 354.10754 173.2
[M+H-H2O]+ 298.14164 158.6
[M+HCOO]- 360.14258 190.1
[M+CH3COO]- 374.15823 179.4
[M+Na-2H]- 336.11905 178.0
[M]+ 315.14383 173.0
[M]- 315.14493 173.0
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.