CID 10177177

2-(1h-6-indazolylamino)-4-methoxy-6-(2-morpholinoethyl)amino-1,3,5-triazine

Structural Information

Molecular Formula
C17H22N8O2
SMILES
COC1=NC(=NC(=N1)NC2=CC3=C(C=C2)C=NN3)NCCN4CCOCC4
InChI
InChI=1S/C17H22N8O2/c1-26-17-22-15(18-4-5-25-6-8-27-9-7-25)21-16(23-17)20-13-3-2-12-11-19-24-14(12)10-13/h2-3,10-11H,4-9H2,1H3,(H,19,24)(H2,18,20,21,22,23)
InChIKey
JLQHLYVKTYZECP-UHFFFAOYSA-N
Compound name
2-N-(1H-indazol-6-yl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.18658 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19386 184.3
[M+Na]+ 393.17580 190.6
[M-H]- 369.17930 186.5
[M+NH4]+ 388.22040 187.8
[M+K]+ 409.14974 184.7
[M+H-H2O]+ 353.18384 171.2
[M+HCOO]- 415.18478 198.3
[M+CH3COO]- 429.20043 191.3
[M+Na-2H]- 391.16125 190.5
[M]+ 370.18603 183.0
[M]- 370.18713 183.0
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.