CID 9922244

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

Structural Information

Molecular Formula
C14H15N7O
SMILES
COC1=NC(=NC(=N1)NC2CC2)NC3=CC4=C(C=C3)NN=C4
InChI
InChI=1S/C14H15N7O/c1-22-14-19-12(16-9-2-3-9)18-13(20-14)17-10-4-5-11-8(6-10)7-15-21-11/h4-7,9H,2-3H2,1H3,(H,15,21)(H2,16,17,18,19,20)
InChIKey
VDZOUFDHYKOBIU-UHFFFAOYSA-N
Compound name
2-N-cyclopropyl-4-N-(1H-indazol-5-yl)-6-methoxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.13382 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14110 175.3
[M+Na]+ 320.12304 186.7
[M-H]- 296.12654 179.5
[M+NH4]+ 315.16764 180.9
[M+K]+ 336.09698 177.9
[M+H-H2O]+ 280.13108 165.1
[M+HCOO]- 342.13202 196.3
[M+CH3COO]- 356.14767 184.8
[M+Na-2H]- 318.10849 182.5
[M]+ 297.13327 178.0
[M]- 297.13437 178.0
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.