CID 9944177

2-[[4-(1h-indazol-6-ylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol

Structural Information

Molecular Formula
C13H15N7O2
SMILES
COC1=NC(=NC(=N1)NC2=CC3=C(C=C2)C=NN3)NCCO
InChI
InChI=1S/C13H15N7O2/c1-22-13-18-11(14-4-5-21)17-12(19-13)16-9-3-2-8-7-15-20-10(8)6-9/h2-3,6-7,21H,4-5H2,1H3,(H,15,20)(H2,14,16,17,18,19)
InChIKey
MYKGRUXZEQHOES-UHFFFAOYSA-N
Compound name
2-[[4-(1H-indazol-6-ylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.12872 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13600 165.2
[M+Na]+ 324.11794 174.4
[M-H]- 300.12144 165.0
[M+NH4]+ 319.16254 174.4
[M+K]+ 340.09188 168.3
[M+H-H2O]+ 284.12598 154.7
[M+HCOO]- 346.12692 184.6
[M+CH3COO]- 360.14257 174.8
[M+Na-2H]- 322.10339 173.8
[M]+ 301.12817 166.5
[M]- 301.12927 166.5
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.